4-[1-(4-fluorophenyl)-5-(3-methyl-3-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide

Systemtic Name: 4-[1-(4-fluorophenyl)-5-(3-methyl-3-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methyl-butoxy)-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methyl-butoxy)-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C21H22FN3O5S/c1-21(2,27)11-12-30-19-18(14-3-9-17(10-4-14)31(23,28)29)13-24-25(20(19)26)16-7-5-15(22)6-8-16/h3-10,13,27H,11-12H2,1-2H3,(H2,23,28,29)