N-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(4-mesylphenyl)-1-[4-(trifluoromethyl)benzoyl]isonipecotamide Formula: C21H21F3N2O4S MolecularWeight: 454.46265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c1-31(29,30)18-8-6-17(7-9-18)25-19(27)14-10-12-26(13-11-14)20(28)15-2-4-16(5-3-15)21(22,23)24/h2-9,14H,10-13H2,1H3,(H,25,27)