N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)18-3-1-2-4-19(18)31(29,30)27-13-10-16(11-14-27)20(28)26-17-7-5-15(6-8-17)9-12-25/h1-8,16H,9-11,13-14H2,(H,26,28)