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

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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