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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5S/c1-22(2,3)17-8-10-18(11-9-17)29(26,27)23-14-12-16(13-15-23)21(25)28-20-7-5-4-6-19(20)24/h8-11,16,20H,4-7,12-15H2,1-3H3/t20-/m0/s1