4-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(2-methyl-3-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide

Systemtic Name: 4-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(2-methyl-3-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(3-hydroxy-2-methyl-propoxy)-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-2-methylpropoxy)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-2-methylpropoxy)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(3-hydroxy-2-methyl-propoxy)-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C20H19ClFN3O5S MolecularWeight: 467.898363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(CO)COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H19ClFN3O5S/c1-12(10-26)11-30-19-16(13-2-5-15(6-3-13)31(23,28)29)9-24-25(20(19)27)14-4-7-18(22)17(21)8-14/h2-9,12,26H,10-11H2,1H3,(H2,23,28,29)