3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-12-3-4-13(2)15(11-12)26(24,25)21-9-7-20(8-10-21)17(23)14-5-6-16(22)19-18-14/h3-6,11H,7-10H2,1-2H3,(H,19,22)