(phenylmethyl) 4-[2-(trifluoromethylsulfinyl)phenyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(trifluoromethylsulfinyl)phenyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(trifluoromethylsulfinyl)phenyl]piperidine-1-carboxylate CAS Name: 4-[2-(trifluoromethylsulfinyl)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(trifluoromethylsulfinyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[2-(trifluoromethylsulfinyl)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H20F3NO3S MolecularWeight: 411.43791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2S(=O)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2S(=O)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20F3NO3S/c21-20(22,23)28(26)18-9-5-4-8-17(18)16-10-12-24(13-11-16)19(25)27-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2