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

Systemtic Name: 4-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-methyl-3-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(3-hydroxy-3-methyl-butoxy)-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-(3-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(C)(CCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)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)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C21H21ClFN3O5S/c1-21(2,28)9-10-31-19-16(13-3-6-15(7-4-13)32(24,29)30)12-25-26(20(19)27)14-5-8-18(23)17(22)11-14/h3-8,11-12,28H,9-10H2,1-2H3,(H2,24,29,30)