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

Systemtic Name: 4-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-methylbutyl)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-isopentyl-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-methylbutyl)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chloro-4-fluorophenyl)-5-(3-methylbutyl)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chloro-4-fluoro-phenyl)-5-isoamyl-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)CCC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21ClFN3O3S/c1-13(2)3-9-17-18(14-4-7-16(8-5-14)30(24,28)29)12-25-26(21(17)27)15-6-10-20(23)19(22)11-15/h4-8,10-13H,3,9H2,1-2H3,(H2,24,28,29)