3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-(4-tosylpiperazine-1-carbonyl)-1H-pyridazin-6-one Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H18N4O4S/c1-12-2-4-13(5-3-12)25(23,24)20-10-8-19(9-11-20)16(22)14-6-7-15(21)18-17-14/h2-7H,8-11H2,1H3,(H,18,21)