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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 6-phenyl-2-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 6-phenyl-2-[2-(4-tosylpiperazino)ethyl]pyridazin-3-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

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