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

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-2-nitro-benzoic acid Openeye Name: 2-nitro-4-(p-tolylsulfonylamino)benzoic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-2-nitrobenzoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-2-nitrobenzoic acid Traditional Name: 2-nitro-4-(tosylamino)benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c1-9-2-5-11(6-3-9)23(21,22)15-10-4-7-12(14(17)18)13(8-10)16(19)20/h2-8,15H,1H3,(H,17,18)