4-[[6-fluoranyl-4-oxidanylidene-2-(thiophen-2-ylmethyl)quinazolin-3-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[6-fluoranyl-4-oxidanylidene-2-(thiophen-2-ylmethyl)quinazolin-3-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[6-fluoro-4-oxo-2-(2-thienylmethyl)quinazolin-3-yl]sulfamoyl]benzoic acid CAS Name: 4-[[6-fluoro-4-oxo-2-(thiophen-2-ylmethyl)-3-quinazolinyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[6-fluoro-4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[6-fluoro-4-keto-2-(2-thenyl)quinazolin-3-yl]sulfamoyl]benzoic acid Formula: C20H14FN3O5S2 MolecularWeight: 459.470663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC3=C(C=C(C=C3)F)C(=O)N2NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC2=NC3=C(C=C(C=C3)F)C(=O)N2NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H14FN3O5S2/c21-13-5-8-17-16(10-13)19(25)24(18(22-17)11-14-2-1-9-30-14)23-31(28,29)15-6-3-12(4-7-15)20(26)27/h1-10,23H,11H2,(H,26,27)