2-[4-(cyanomethylamino)-4-oxidanylidene-butyl]sulfonyl-5-(trifluoromethyloxy)benzamide

Systemtic Name: 2-[4-(cyanomethylamino)-4-oxidanylidene-butyl]sulfonyl-5-(trifluoromethyloxy)benzamide Openeye Name: 2-[4-(cyanomethylamino)-4-oxo-butyl]sulfonyl-5-(trifluoromethoxy)benzamide CAS Name: 2-[4-(cyanomethylamino)-4-oxobutyl]sulfonyl-5-(trifluoromethoxy)benzamide IUPAC Name: 2-[4-(cyanomethylamino)-4-oxobutyl]sulfonyl-5-(trifluoromethoxy)benzamide Traditional Name: 2-[4-(cyanomethylamino)-4-keto-butyl]sulfonyl-5-(trifluoromethoxy)benzamide Formula: C14H14F3N3O5S MolecularWeight: 393.33827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(F)(F)F)C(=O)N)S(=O)(=O)CCCC(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C=C1OC(F)(F)F)C(=O)N)S(=O)(=O)CCCC(=O)NCC#N

InChI

InChI=1S/C14H14F3N3O5S/c15-14(16,17)25-9-3-4-11(10(8-9)13(19)22)26(23,24)7-1-2-12(21)20-6-5-18/h3-4,8H,1-2,6-7H2,(H2,19,22)(H,20,21)