N-(cyanomethyl)-N-(hexylsulfanylmethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

Systemtic Name: N-(cyanomethyl)-N-(hexylsulfanylmethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide Openeye Name: N-(cyanomethyl)-N-(hexylsulfanylmethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide CAS Name: N-(cyanomethyl)-N-[(hexylthio)methyl]-1-[2-(trifluoromethyl)phenyl]methanesulfonamide IUPAC Name: N-(cyanomethyl)-N-(hexylsulfanylmethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide Traditional Name: N-(cyanomethyl)-N-[(hexylthio)methyl]-1-[2-(trifluoromethyl)phenyl]methanesulfonamide Formula: C17H23F3N2O2S2 MolecularWeight: 408.50193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCN(CC#N)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCCSCN(CC#N)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C17H23F3N2O2S2/c1-2-3-4-7-12-25-14-22(11-10-21)26(23,24)13-15-8-5-6-9-16(15)17(18,19)20/h5-6,8-9H,2-4,7,11-14H2,1H3