4-chloranyl-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid Formula: C17H20ClN3O6S2 MolecularWeight: 461.9402

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C17H20ClN3O6S2/c1-4-19-14-8-6-12(29(26,27)21(2)3)10-15(14)20-28(24,25)16-9-11(17(22)23)5-7-13(16)18/h5-10,19-20H,4H2,1-3H3,(H,22,23)