N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-thienylmethylsulfanyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(thiophen-2-ylmethylthio)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-thenylthio)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H23F3N2O3S3 MolecularWeight: 492.59843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3S3/c21-20(22,23)17-5-1-2-6-18(17)31(27,28)25-10-7-15(8-11-25)19(26)24-9-13-29-14-16-4-3-12-30-16/h1-6,12,15H,7-11,13-14H2,(H,24,26)