phenyl 2-[4-(4-fluorophenyl)-1-oxidanylidene-phthalazin-2-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(4-fluorophenyl)-1-oxidanylidene-phthalazin-2-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(4-fluorophenyl)-1-oxo-phthalazin-2-yl]ethanesulfonate CAS Name: 2-[4-(4-fluorophenyl)-1-oxo-2-phthalazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]ethanesulfonate Traditional Name: 2-[4-(4-fluorophenyl)-1-keto-phthalazin-2-yl]ethanesulfonic acid phenyl ester Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O4S/c23-17-12-10-16(11-13-17)21-19-8-4-5-9-20(19)22(26)25(24-21)14-15-30(27,28)29-18-6-2-1-3-7-18/h1-13H,14-15H2