[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H36N2O6S MolecularWeight: 492.62814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C25H36N2O6S/c1-16-7-5-10-23(17(16)2)26-24(29)19(4)33-25(30)20-11-13-27(14-12-20)34(31,32)22-9-6-8-21(15-22)18(3)28/h6,8-9,15-17,19-20,23H,5,7,10-14H2,1-4H3,(H,26,29)