3-(1,3-benzodioxol-5-yl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-(4-benzylsulfonylpiperazin-1-yl)pyridazine CAS Name: 3-(1,3-benzodioxol-5-yl)-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-(4-benzylsulfonylpiperazin-1-yl)pyridazine Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-(4-benzylsulfonylpiperazino)pyridazine Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O4S/c27-31(28,15-17-4-2-1-3-5-17)26-12-10-25(11-13-26)22-9-7-19(23-24-22)18-6-8-20-21(14-18)30-16-29-20/h1-9,14H,10-13,15-16H2