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

Systemtic Name: N-[1-(2-cyanoethylamino)-3-methylsulfonyl-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(2-cyanoethylamino)-1-(methylsulfonylmethyl)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(2-cyanoethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(2-cyanoethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(2-cyanoethylamino)-2-keto-1-(mesylmethyl)ethyl]-3-(trifluoromethyl)benzamide Formula: C15H16F3N3O4S MolecularWeight: 391.36545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N3O4S/c1-26(24,25)9-12(14(23)20-7-3-6-19)21-13(22)10-4-2-5-11(8-10)15(16,17)18/h2,4-5,8,12H,3,7,9H2,1H3,(H,20,23)(H,21,22)