1-[(4-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(phenylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[2-(phenylthio)ethyl]isonipecotamide Formula: C21H25BrN2O3S2 MolecularWeight: 497.4688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O3S2/c22-19-8-6-17(7-9-19)16-29(26,27)24-13-10-18(11-14-24)21(25)23-12-15-28-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,23,25)