N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide

Systemtic Name: N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide Openeye Name: N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide CAS Name: N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide IUPAC Name: N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide Traditional Name: N-(cyanomethyl)-N-methyl-1-[3,4,5-tris(trifluoromethyl)phenyl]methanesulfonamide Formula: C13H9F9N2O2S MolecularWeight: 428.273389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F9N2O2S/c1-24(3-2-23)27(25,26)6-7-4-8(11(14,15)16)10(13(20,21)22)9(5-7)12(17,18)19/h4-5H,3,6H2,1H3