[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C24H28N2O6S/c1-16-7-4-5-10-22(16)25-23(28)18(3)32-24(29)19-11-13-26(14-12-19)33(30,31)21-9-6-8-20(15-21)17(2)27/h4-10,15,18-19H,11-14H2,1-3H3,(H,25,28)