1-[(3-bromophenyl)methylsulfonyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H20BrF3N2O3S MolecularWeight: 505.34861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

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