2-methyl-5-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[(4-methylsulfonylphenyl)methyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 5-[4-(4-mesylbenzyl)piperazino]-2-methyl-pyridazin-3-one Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O3S/c1-19-17(22)11-15(12-18-19)21-9-7-20(8-10-21)13-14-3-5-16(6-4-14)25(2,23)24/h3-6,11-12H,7-10,13H2,1-2H3