[2-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] benzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] benzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-quinazolin-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(4-methoxyphenyl)-4-oxo-3-quinazolinyl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-keto-2-(4-methoxyphenyl)quinazolin-3-yl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O5S/c1-27-16-13-11-15(12-14-16)20-22-19-10-6-5-9-18(19)21(24)23(20)28-29(25,26)17-7-3-2-4-8-17/h2-14H,1H3