2-[[2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[5-nitro-2-(p-tolylsulfonylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[[2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-5-nitrobenzoyl]amino]benzoic acid Traditional Name: 2-[[5-nitro-2-(tosylamino)benzoyl]amino]benzoic acid Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(=O)O

InChI

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