N-[(4-cyanophenyl)methyl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-cyanobenzyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S/c22-21(23,24)31-18-2-1-3-19(12-18)32(29,30)27-10-8-17(9-11-27)20(28)26-14-16-6-4-15(13-25)5-7-16/h1-7,12,17H,8-11,14H2,(H,26,28)