1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[2-[(4-chlorobenzyl)thio]ethyl]isonipecotamide Formula: C22H26BrClN2O3S2 MolecularWeight: 545.94044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrClN2O3S2/c23-20-5-1-18(2-6-20)16-31(28,29)26-12-9-19(10-13-26)22(27)25-11-14-30-15-17-3-7-21(24)8-4-17/h1-8,19H,9-16H2,(H,25,27)