[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O6S/c1-16(26)19-9-6-10-20(15-19)24-22(27)21(17-7-4-3-5-8-17)31-23(28)18-11-13-25(14-12-18)32(2,29)30/h3-10,15,18,21H,11-14H2,1-2H3,(H,24,27)