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

Systemtic Name: phenyl 2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanesulfonate Openeye Name: phenyl 2-[1-oxo-4-(p-tolyl)phthalazin-2-yl]ethanesulfonate CAS Name: 2-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]ethanesulfonate Traditional Name: 2-[1-keto-4-(p-tolyl)phthalazin-2-yl]ethanesulfonic acid phenyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-17-11-13-18(14-12-17)22-20-9-5-6-10-21(20)23(26)25(24-22)15-16-30(27,28)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3