4-[(2-oxidanylidene-1,3-benzoxathiol-5-yl)-pyridin-3-ylcarbonyl-sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-oxidanylidene-1,3-benzoxathiol-5-yl)-pyridin-3-ylcarbonyl-sulfamoyl]benzoic acid Openeye Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-(pyridine-3-carbonyl)sulfamoyl]benzoic acid CAS Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-[oxo(3-pyridinyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-(pyridine-3-carbonyl)sulfamoyl]benzoic acid Traditional Name: 4-[(2-keto-1,3-benzoxathiol-5-yl)-nicotinoyl-sulfamoyl]benzoic acid Formula: C20H12N2O7S2 MolecularWeight: 456.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N(C2=CC3=C(C=C2)OC(=O)S3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N(C2=CC3=C(C=C2)OC(=O)S3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H12N2O7S2/c23-18(13-2-1-9-21-11-13)22(14-5-8-16-17(10-14)30-20(26)29-16)31(27,28)15-6-3-12(4-7-15)19(24)25/h1-11H,(H,24,25)