(4-nitrophenyl) 3-[(2-methylphenyl)carbamoyl]benzenesulfonate

Systemtic Name: (4-nitrophenyl) 3-[(2-methylphenyl)carbamoyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 3-(o-tolylcarbamoyl)benzenesulfonate CAS Name: 3-[(2-methylanilino)-oxomethyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-[(2-methylphenyl)carbamoyl]benzenesulfonate Traditional Name: 3-(o-tolylcarbamoyl)benzenesulfonic acid (4-nitrophenyl) ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-14-5-2-3-8-19(14)21-20(23)15-6-4-7-18(13-15)29(26,27)28-17-11-9-16(10-12-17)22(24)25/h2-13H,1H3,(H,21,23)