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

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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