N-(3-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H21F3N2O3S2 MolecularWeight: 458.51755

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S2/c1-29-16-6-4-5-15(13-16)24-19(26)14-9-11-25(12-10-14)30(27,28)18-8-3-2-7-17(18)20(21,22)23/h2-8,13-14H,9-12H2,1H3,(H,24,26)