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

Systemtic Name: 4-[(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)-pyridin-3-ylcarbonyl-sulfamoyl]benzoic acid Openeye Name: 4-[(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-(pyridine-3-carbonyl)sulfamoyl]benzoic acid CAS Name: 4-[(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-[oxo(3-pyridinyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-(pyridine-3-carbonyl)sulfamoyl]benzoic acid Traditional Name: 4-[(2-ketobenzo[g][1,3]benzoxathiol-5-yl)-nicotinoyl-sulfamoyl]benzoic acid Formula: C24H14N2O7S2 MolecularWeight: 506.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2OC(=O)S3)N(C(=O)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2OC(=O)S3)N(C(=O)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H14N2O7S2/c27-22(15-4-3-11-25-13-15)26(35(31,32)16-9-7-14(8-10-16)23(28)29)19-12-20-21(33-24(30)34-20)18-6-2-1-5-17(18)19/h1-13H,(H,28,29)