[2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C22H27F3N2O6S MolecularWeight: 504.51979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H27F3N2O6S/c23-22(24,25)17-8-4-5-9-18(17)34(31,32)27-12-10-16(11-13-27)21(30)33-14-19(28)26-20(29)15-6-2-1-3-7-15/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,26,28,29)