1-[(3-bromophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H20BrF3N2O3S MolecularWeight: 505.34861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrF3N2O3S/c21-17-5-1-3-14(11-17)13-30(28,29)26-9-7-15(8-10-26)19(27)25-18-6-2-4-16(12-18)20(22,23)24/h1-6,11-12,15H,7-10,13H2,(H,25,27)