N-(cyanomethyl)-N-(1-ethylsulfanylpropyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

Systemtic Name: N-(cyanomethyl)-N-(1-ethylsulfanylpropyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide Openeye Name: N-(cyanomethyl)-N-(1-ethylsulfanylpropyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide CAS Name: N-(cyanomethyl)-N-[1-(ethylthio)propyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide IUPAC Name: N-(cyanomethyl)-N-(1-ethylsulfanylpropyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide Traditional Name: N-(cyanomethyl)-N-[1-(ethylthio)propyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide Formula: C15H19F3N2O2S2 MolecularWeight: 380.44877

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC#N)S(=O)(=O)CC1=CC(=CC=C1)C(F)(F)F)SCC

Isomeric SMILES

CCC(N(CC#N)S(=O)(=O)CC1=CC(=CC=C1)C(F)(F)F)SCC

InChI

InChI=1S/C15H19F3N2O2S2/c1-3-14(23-4-2)20(9-8-19)24(21,22)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10,14H,3-4,9,11H2,1-2H3