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

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C17H20F3NO6S MolecularWeight: 423.40401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H20F3NO6S/c1-11(15(22)26-2)27-16(23)12-7-9-21(10-8-12)28(24,25)14-6-4-3-5-13(14)17(18,19)20/h3-6,11-12H,7-10H2,1-2H3