1-[(3-bromophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-[(3-chlorophenyl)methylthio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-[(3-chlorobenzyl)thio]ethyl]nipecotamide Formula: C22H26BrClN2OS MolecularWeight: 481.87664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26BrClN2OS/c23-20-7-1-4-17(12-20)14-26-10-3-6-19(15-26)22(27)25-9-11-28-16-18-5-2-8-21(24)13-18/h1-2,4-5,7-8,12-13,19H,3,6,9-11,14-16H2,(H,25,27)