[(1S)-2-oxidanylidenecyclohexyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCC3=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C20H25NO7S/c1-27-20(24)15-6-2-5-9-18(15)29(25,26)21-12-10-14(11-13-21)19(23)28-17-8-4-3-7-16(17)22/h2,5-6,9,14,17H,3-4,7-8,10-13H2,1H3/t17-/m0/s1