(2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethoxy)phenyl]sulfonylisonipecotic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H22F3NO7S MolecularWeight: 453.42999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3NO7S/c1-12(2)28-16(23)11-27-17(24)13-6-8-22(9-7-13)30(25,26)15-5-3-4-14(10-15)29-18(19,20)21/h3-5,10,12-13H,6-9,11H2,1-2H3