N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(methylsulfonylmethyl)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-(mesylmethyl)ethyl]-3-(trifluoromethyl)benzamide Formula: C14H14F3N3O4S MolecularWeight: 377.33887

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O4S/c1-25(23,24)8-11(13(22)19-6-5-18)20-12(21)9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11H,6,8H2,1H3,(H,19,22)(H,20,21)