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

Systemtic Name: 4-[1-(3-chlorophenyl)-5-(3-methylbutyl)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chlorophenyl)-5-isopentyl-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chlorophenyl)-5-(3-methylbutyl)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chlorophenyl)-5-(3-methylbutyl)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chlorophenyl)-5-isoamyl-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-14(2)6-11-19-20(15-7-9-18(10-8-15)29(23,27)28)13-24-25(21(19)26)17-5-3-4-16(22)12-17/h3-5,7-10,12-14H,6,11H2,1-2H3,(H2,23,27,28)