[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H14FN3O5S MolecularWeight: 391.373563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

InChI

InChI=1S/C17H14FN3O5S/c1-9(15-20-14-5-3-2-4-11(14)16(22)21-15)26-17(23)12-8-10(27(19,24)25)6-7-13(12)18/h2-9H,1H3,(H2,19,24,25)(H,20,21,22)/t9-/m1/s1