[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H36N2O6S MolecularWeight: 480.61744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3CCCCC3

InChI

InChI=1S/C24H36N2O6S/c1-3-31-21-9-11-22(12-10-21)33(29,30)26-15-13-20(14-16-26)24(28)32-18(2)23(27)25-17-19-7-5-4-6-8-19/h9-12,18-20H,3-8,13-17H2,1-2H3,(H,25,27)