phenyl 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylethanesulfonate CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C22H17FN2O4S2 MolecularWeight: 456.509783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O4S2/c23-16-10-12-17(13-11-16)25-21(26)19-8-4-5-9-20(19)24-22(25)30-14-15-31(27,28)29-18-6-2-1-3-7-18/h1-13H,14-15H2