4-[(4-acetamidophenyl)amino]-3-[(2-acetamidophenyl)sulfamoyl]-5-nitro-benzoic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3-[(2-acetamidophenyl)sulfamoyl]-5-nitro-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-3-[(2-acetamidophenyl)sulfamoyl]-5-nitro-benzoic acid CAS Name: 4-(4-acetamidoanilino)-3-[(2-acetamidophenyl)sulfamoyl]-5-nitrobenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-3-[(2-acetamidophenyl)sulfamoyl]-5-nitrobenzoic acid Traditional Name: 4-(4-acetamidoanilino)-3-[(2-acetamidophenyl)sulfamoyl]-5-nitro-benzoic acid Formula: C23H21N5O8S MolecularWeight: 527.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)NC3=CC=CC=C3NC(=O)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)NC3=CC=CC=C3NC(=O)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O8S/c1-13(29)24-16-7-9-17(10-8-16)26-22-20(28(33)34)11-15(23(31)32)12-21(22)37(35,36)27-19-6-4-3-5-18(19)25-14(2)30/h3-12,26-27H,1-2H3,(H,24,29)(H,25,30)(H,31,32)