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

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H23F3N2O3S2 MolecularWeight: 484.55483

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H23F3N2O3S2/c1-2-15-31-19-9-5-4-8-18(19)26-21(28)16-11-13-27(14-12-16)32(29,30)20-10-6-3-7-17(20)22(23,24)25/h2-10,16H,1,11-15H2,(H,26,28)