[(1S)-2-oxidanylidenecyclohexyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@H]3CCCCC3=O)OC

InChI

InChI=1S/C20H27NO7S/c1-26-18-8-7-15(13-19(18)27-2)29(24,25)21-11-9-14(10-12-21)20(23)28-17-6-4-3-5-16(17)22/h7-8,13-14,17H,3-6,9-12H2,1-2H3/t17-/m0/s1