N-[3,5-bis(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[3,5-bis(trifluoromethyl)phenyl]isonipecotamide Formula: C21H20F6N2O3S MolecularWeight: 494.450519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F6N2O3S/c22-20(23,24)16-10-17(21(25,26)27)12-18(11-16)28-19(30)15-6-8-29(9-7-15)33(31,32)13-14-4-2-1-3-5-14/h1-5,10-12,15H,6-9,13H2,(H,28,30)