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

Systemtic Name: 6-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-fluorophenyl)-2-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 6-(4-fluorophenyl)-2-[2-(4-tosylpiperazino)ethyl]pyridazin-3-one Formula: C23H25FN4O3S MolecularWeight: 456.533003

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3S/c1-18-2-8-21(9-3-18)32(30,31)27-15-12-26(13-16-27)14-17-28-23(29)11-10-22(25-28)19-4-6-20(24)7-5-19/h2-11H,12-17H2,1H3