[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 3-[(3-nitrobenzoyl)amino]benzoic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C29H22N2O9S MolecularWeight: 574.55798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O9S/c1-19-8-14-26(15-9-19)41(37,38)40-25-12-10-20(11-13-25)27(32)18-39-29(34)22-5-2-6-23(16-22)30-28(33)21-4-3-7-24(17-21)31(35)36/h2-17H,18H2,1H3,(H,30,33)