data_EVI
# 
_chem_comp.id                                    EVI 
_chem_comp.name                                  1,3-thiazole-2-sulfonamide 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H4 N2 O2 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-06-03 
_chem_comp.pdbx_modified_date                    2011-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        164.206 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EVI 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3S77 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
EVI S    S    S 0 1 N N N 31.871 -0.853 13.930 1.393  -0.101 -0.000 S    EVI 1  
EVI O1   O1   O 0 1 N N N 30.906 -1.887 14.156 1.717  -0.695 -1.250 O1   EVI 2  
EVI S1   S1   S 0 1 Y N N 33.582 -3.148 13.243 -1.512 -1.118 0.000  S1   EVI 3  
EVI C2   C2   C 0 1 Y N N 33.087 -1.514 13.030 -0.352 0.138  0.000  C2   EVI 4  
EVI O2   O2   O 0 1 N N N 31.383 0.285  13.161 1.717  -0.695 1.250  O2   EVI 5  
EVI N3   N3   N 0 1 Y N N 33.753 -0.885 12.048 -0.941 1.286  0.000  N3   EVI 6  
EVI C4   C4   C 0 1 Y N N 34.675 -1.725 11.461 -2.258 1.286  0.000  C4   EVI 7  
EVI C5   C5   C 0 1 Y N N 34.758 -3.018 11.968 -2.813 0.071  0.000  C5   EVI 8  
EVI NH   NH   N 0 1 N N N 32.432 -0.311 15.343 2.093  1.399  -0.000 NH   EVI 9  
EVI H4   H4   H 0 1 N N N 35.303 -1.395 10.647 -2.842 2.195  0.001  H4   EVI 10 
EVI H5   H5   H 0 1 N N N 35.428 -3.796 11.632 -3.871 -0.145 0.000  H5   EVI 11 
EVI HNH  HNH  H 0 1 N N N 31.680 0.084  15.871 1.537  2.194  -0.000 HNH  EVI 12 
EVI HNHA HNHA H 0 0 N N N 32.835 -1.070 15.854 3.060  1.484  -0.000 HNHA EVI 13 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
EVI C2 S    SING N N 1  
EVI O2 S    DOUB N N 2  
EVI S  O1   DOUB N N 3  
EVI S  NH   SING N N 4  
EVI C5 S1   SING Y N 5  
EVI C2 S1   SING Y N 6  
EVI N3 C2   DOUB Y N 7  
EVI C4 N3   SING Y N 8  
EVI C4 C5   DOUB Y N 9  
EVI C4 H4   SING N N 10 
EVI C5 H5   SING N N 11 
EVI NH HNH  SING N N 12 
EVI NH HNHA SING N N 13 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
EVI SMILES           ACDLabs              12.01 "O=S(=O)(N)c1nccs1"                                         
EVI SMILES_CANONICAL CACTVS               3.370 "N[S](=O)(=O)c1sccn1"                                       
EVI SMILES           CACTVS               3.370 "N[S](=O)(=O)c1sccn1"                                       
EVI SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "c1csc(n1)S(=O)(=O)N"                                       
EVI SMILES           "OpenEye OEToolkits" 1.7.2 "c1csc(n1)S(=O)(=O)N"                                       
EVI InChI            InChI                1.03  "InChI=1S/C3H4N2O2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H,(H2,4,6,7)" 
EVI InChIKey         InChI                1.03  WKXVETMYCFRGET-UHFFFAOYSA-N                                 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
EVI "SYSTEMATIC NAME" ACDLabs              12.01 1,3-thiazole-2-sulfonamide 
EVI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 1,3-thiazole-2-sulfonamide 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
EVI "Create component"     2011-06-03 RCSB 
EVI "Modify aromatic_flag" 2011-06-04 RCSB 
EVI "Modify descriptor"    2011-06-04 RCSB 
# 
