4-[1-(4-fluorophenyl)-5-(3-methylbutyl)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide

Systemtic Name: 4-[1-(4-fluorophenyl)-5-(3-methylbutyl)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(4-fluorophenyl)-5-isopentyl-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(4-fluorophenyl)-5-(3-methylbutyl)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(4-fluorophenyl)-5-(3-methylbutyl)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(4-fluorophenyl)-5-isoamyl-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H22FN3O3S/c1-14(2)3-12-19-20(15-4-10-18(11-5-15)29(23,27)28)13-24-25(21(19)26)17-8-6-16(22)7-9-17/h4-11,13-14H,3,12H2,1-2H3,(H2,23,27,28)