4-[5-(2,2-dimethylpropoxy)-6-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]pyridazin-4-yl]benzenesulfonamide

Systemtic Name: 4-[5-(2,2-dimethylpropoxy)-6-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[5-(2,2-dimethylpropoxy)-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[5-(2,2-dimethylpropoxy)-6-oxo-1-(2,2,2-trifluoroethyl)-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[5-(2,2-dimethylpropoxy)-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[6-keto-5-neopentyloxy-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]benzenesulfonamide Formula: C17H20F3N3O4S MolecularWeight: 419.41861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)COC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H20F3N3O4S/c1-16(2,3)10-27-14-13(8-22-23(15(14)24)9-17(18,19)20)11-4-6-12(7-5-11)28(21,25)26/h4-8H,9-10H2,1-3H3,(H2,21,25,26)