[(1R)-1-cyanoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [(1R)-1-cyanoethyl] ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O4S/c1-11(10-20)25-15(22)12-5-7-21(8-6-12)26(23,24)14-4-2-3-13(9-14)16(17,18)19/h2-4,9,11-12H,5-8H2,1H3/t11-/m1/s1