4,5-bis(chloranyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[(4-tosylpiperazino)methyl]pyridazin-3-one Formula: C16H18Cl2N4O3S MolecularWeight: 417.31012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N4O3S/c1-12-2-4-13(5-3-12)26(24,25)21-8-6-20(7-9-21)11-22-16(23)15(18)14(17)10-19-22/h2-5,10H,6-9,11H2,1H3