[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H27F3N2O5S MolecularWeight: 464.49899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N2O5S/c1-14(2)6-9-24-18(26)13-30-19(27)15-7-10-25(11-8-15)31(28,29)17-5-3-4-16(12-17)20(21,22)23/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,24,26)