6-(4-methylphenyl)-2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(m-tolylsulfonyl)piperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(m-tolylsulfonyl)piperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C24H28N4O3S/c1-19-6-8-21(9-7-19)23-10-11-24(29)28(25-23)17-14-26-12-15-27(16-13-26)32(30,31)22-5-3-4-20(2)18-22/h3-11,18H,12-17H2,1-2H3