4-[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[4-methyl-3-[(3-nitrophenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c1-13-5-6-15(20(25)22-16-9-7-14(8-10-16)21(26)27)11-19(13)32(30,31)23-17-3-2-4-18(12-17)24(28)29/h2-12,23H,1H3,(H,22,25)(H,26,27)