3-[[3-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(2-methyl-5-nitro-phenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 3-[[[3-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 3-[[3-[(2-methyl-5-nitro-phenyl)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)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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