3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-(4-mesitylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-12-10-13(2)17(14(3)11-12)27(25,26)22-8-6-21(7-9-22)18(24)15-4-5-16(23)20-19-15/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)