4-[(4-chlorophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-chloroanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoyl-benzoic acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c21-15-6-8-16(9-7-15)24-19-17(23-12-13-4-2-1-3-5-13)10-14(20(25)26)11-18(19)29(22,27)28/h1-11,23-24H,12H2,(H,25,26)(H2,22,27,28)