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

Systemtic Name: 4-[(4-aminophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminoanilino)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-aminoanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminoanilino)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminoanilino)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/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,12,21H2,(H,25,26)(H2,22,27,28)