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

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3-(ethanoylsulfamoyl)-5-nitro-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-3-(acetylsulfamoyl)-5-nitro-benzoic acid CAS Name: 4-(4-acetamidoanilino)-3-(acetylsulfamoyl)-5-nitrobenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-3-(acetylsulfamoyl)-5-nitrobenzoic acid Traditional Name: 4-(4-acetamidoanilino)-3-(acetylsulfamoyl)-5-nitro-benzoic acid Formula: C17H16N4O8S MolecularWeight: 436.39594

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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)NC(=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)NC(=O)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S/c1-9(22)18-12-3-5-13(6-4-12)19-16-14(21(26)27)7-11(17(24)25)8-15(16)30(28,29)20-10(2)23/h3-8,19H,1-2H3,(H,18,22)(H,20,23)(H,24,25)