[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4)C

InChI

InChI=1S/C27H34N2O5S/c1-20-11-12-24(19-21(20)2)35(32,33)29-17-13-23(14-18-29)27(31)34-25(22-9-5-3-6-10-22)26(30)28-15-7-4-8-16-28/h3,5-6,9-12,19,23,25H,4,7-8,13-18H2,1-2H3/t25-/m0/s1