[(2S)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [(1S)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H40N2O5S MolecularWeight: 492.6712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H40N2O5S/c1-19(24(29)27(5)22-9-7-6-8-10-22)33-25(30)20-15-17-28(18-16-20)34(31,32)23-13-11-21(12-14-23)26(2,3)4/h11-14,19-20,22H,6-10,15-18H2,1-5H3/t19-/m0/s1