1-[(3-bromophenyl)methylsulfonyl]-N-(2-tert-butylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-tert-butylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-tert-butylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(tert-butylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-tert-butylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-(tert-butylthio)ethyl]isonipecotamide Formula: C19H29BrN2O3S2 MolecularWeight: 477.47916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H29BrN2O3S2/c1-19(2,3)26-12-9-21-18(23)16-7-10-22(11-8-16)27(24,25)14-15-5-4-6-17(20)13-15/h4-6,13,16H,7-12,14H2,1-3H3,(H,21,23)