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

Systemtic Name: 6-(4-methylphenyl)-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-besylpiperazino)ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-19-7-9-20(10-8-19)22-11-12-23(28)27(24-22)18-15-25-13-16-26(17-14-25)31(29,30)21-5-3-2-4-6-21/h2-12H,13-18H2,1H3