4-[1-(3-chlorophenyl)-5-(2,2-dimethyl-3-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide

Systemtic Name: 4-[1-(3-chlorophenyl)-5-(2,2-dimethyl-3-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfonamide Openeye Name: 4-[1-(3-chlorophenyl)-5-(3-hydroxy-2,2-dimethyl-propoxy)-6-oxo-pyridazin-4-yl]benzenesulfonamide CAS Name: 4-[1-(3-chlorophenyl)-5-(3-hydroxy-2,2-dimethylpropoxy)-6-oxo-4-pyridazinyl]benzenesulfonamide IUPAC Name: 4-[1-(3-chlorophenyl)-5-(3-hydroxy-2,2-dimethylpropoxy)-6-oxopyridazin-4-yl]benzenesulfonamide Traditional Name: 4-[1-(3-chlorophenyl)-5-(3-hydroxy-2,2-dimethyl-propoxy)-6-keto-pyridazin-4-yl]benzenesulfonamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(CO)COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22ClN3O5S/c1-21(2,12-26)13-30-19-18(14-6-8-17(9-7-14)31(23,28)29)11-24-25(20(19)27)16-5-3-4-15(22)10-16/h3-11,26H,12-13H2,1-2H3,(H2,23,28,29)