4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzenesulfonamide Openeye Name: 4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C22H21N5O5S/c23-33(29,30)17-4-1-15(2-5-17)22(28)27-11-9-26(10-12-27)21-8-6-18(24-25-21)16-3-7-19-20(13-16)32-14-31-19/h1-8,13H,9-12,14H2,(H2,23,29,30)