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

Systemtic Name: 4-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-methyl-4-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(4-hydroxy-3-methyl-butoxy)-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(4-hydroxy-3-methylbutoxy)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(4-hydroxy-3-methylbutoxy)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(4-hydroxy-3-methyl-butoxy)-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H21ClFN3O5S MolecularWeight: 481.924943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O5S/c1-13(12-27)8-9-31-20-17(14-2-5-16(6-3-14)32(24,29)30)11-25-26(21(20)28)15-4-7-19(23)18(22)10-15/h2-7,10-11,13,27H,8-9,12H2,1H3,(H2,24,29,30)