1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S2/c23-21-8-6-19(7-9-21)17-30(27,28)25-13-10-20(11-14-25)22(26)24-12-15-29-16-18-4-2-1-3-5-18/h1-9,20H,10-17H2,(H,24,26)