[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-15-8-3-5-12-20(15)24-22(27)16(2)33-23(28)19-11-4-6-13-21(19)25-34(31,32)18-10-7-9-17(14-18)26(29)30/h3-14,16,25H,1-2H3,(H,24,27)