[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-fluorophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl] ester Formula: C24H19FN2O6S2 MolecularWeight: 514.545863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H19FN2O6S2/c1-16-3-11-21(12-4-16)35(31,32)33-23-22(17-5-13-20(14-6-17)34(2,29)30)15-26-27(24(23)28)19-9-7-18(25)8-10-19/h3-15H,1-2H3