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

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C17H20N4O6S MolecularWeight: 408.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)OC

InChI

InChI=1S/C17H20N4O6S/c1-26-14-5-3-12(11-15(14)27-2)28(24,25)21-9-7-20(8-10-21)17(23)13-4-6-16(22)19-18-13/h3-6,11H,7-10H2,1-2H3,(H,19,22)