3-(1,3-benzodioxol-5-ylsulfonyl)-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]pyridazine

Systemtic Name: 3-(1,3-benzodioxol-5-ylsulfonyl)-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]pyridazine Openeye Name: 3-(1,3-benzodioxol-5-ylsulfonyl)-6-[[4-(4-piperidyl)piperazin-1-yl]methyl]pyridazine CAS Name: 3-(1,3-benzodioxol-5-ylsulfonyl)-6-[[4-(4-piperidinyl)-1-piperazinyl]methyl]pyridazine IUPAC Name: 3-(1,3-benzodioxol-5-ylsulfonyl)-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]pyridazine Traditional Name: 3-(1,3-benzodioxol-5-ylsulfonyl)-6-[[4-(4-piperidyl)piperazino]methyl]pyridazine Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCN(CC2)CC3=NN=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCCC1N2CCN(CC2)CC3=NN=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N5O4S/c27-31(28,18-2-3-19-20(13-18)30-15-29-19)21-4-1-16(23-24-21)14-25-9-11-26(12-10-25)17-5-7-22-8-6-17/h1-4,13,17,22H,5-12,14-15H2