1-[(4-bromophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[2-[(2-chlorophenyl)methylthio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[2-[(2-chlorobenzyl)thio]ethyl]nipecotamide Formula: C22H26BrClN2OS MolecularWeight: 481.87664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3Cl

InChI

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