4-[(4-methylphenyl)amino]-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-methylphenyl)amino]-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-(benzylamino)-4-(4-methylanilino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methylanilino)-2-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-(benzylamino)-4-(4-methylanilino)-5-sulfamoylbenzoic acid Traditional Name: 2-(benzylamino)-4-(p-toluidino)-5-sulfamoyl-benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)NCC3=CC=CC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)NCC3=CC=CC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O4S/c1-14-7-9-16(10-8-14)24-19-12-18(23-13-15-5-3-2-4-6-15)17(21(25)26)11-20(19)29(22,27)28/h2-12,23-24H,13H2,1H3,(H,25,26)(H2,22,27,28)