2-(phenylcarbonyloxy)ethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-benzoyloxyethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 2-benzoyloxyethyl ester Formula: C22H22F3NO6S MolecularWeight: 485.47339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3NO6S/c23-22(24,25)18-7-4-8-19(15-18)33(29,30)26-11-9-17(10-12-26)21(28)32-14-13-31-20(27)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2