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

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C17H19ClF3NO6S MolecularWeight: 457.84907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClF3NO6S/c1-10(15(23)27-2)28-16(24)11-5-7-22(8-6-11)29(25,26)12-3-4-14(18)13(9-12)17(19,20)21/h3-4,9-11H,5-8H2,1-2H3