[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27F3N2O5S MolecularWeight: 464.49899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N2O5S/c1-13(2)12-24-18(26)14(3)30-19(27)15-7-9-25(10-8-15)31(28,29)17-6-4-5-16(11-17)20(21,22)23/h4-6,11,13-15H,7-10,12H2,1-3H3,(H,24,26)