3-[4-(cyanomethylamino)-4-oxidanylidene-butyl]sulfonyl-2-(trifluoromethyloxy)benzamide

Systemtic Name: 3-[4-(cyanomethylamino)-4-oxidanylidene-butyl]sulfonyl-2-(trifluoromethyloxy)benzamide Openeye Name: 3-[4-(cyanomethylamino)-4-oxo-butyl]sulfonyl-2-(trifluoromethoxy)benzamide CAS Name: 3-[4-(cyanomethylamino)-4-oxobutyl]sulfonyl-2-(trifluoromethoxy)benzamide IUPAC Name: 3-[4-(cyanomethylamino)-4-oxobutyl]sulfonyl-2-(trifluoromethoxy)benzamide Traditional Name: 3-[4-(cyanomethylamino)-4-keto-butyl]sulfonyl-2-(trifluoromethoxy)benzamide Formula: C14H14F3N3O5S MolecularWeight: 393.33827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)CCCC(=O)NCC#N)OC(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)CCCC(=O)NCC#N)OC(F)(F)F)C(=O)N

InChI

InChI=1S/C14H14F3N3O5S/c15-14(16,17)25-12-9(13(19)22)3-1-4-10(12)26(23,24)8-2-5-11(21)20-7-6-18/h1,3-4H,2,5,7-8H2,(H2,19,22)(H,20,21)