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

Systemtic Name: 4-[ethanoyl-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoic acid Openeye Name: 4-[acetyl-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoic acid CAS Name: 4-[acetyl-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)sulfamoyl]benzoic acid IUPAC Name: 4-[acetyl-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoic acid Traditional Name: 4-[acetyl-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoic acid Formula: C20H13NO7S2 MolecularWeight: 443.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC2=C(C3=CC=CC=C31)OC(=O)S2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)N(C1=CC2=C(C3=CC=CC=C31)OC(=O)S2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13NO7S2/c1-11(22)21(30(26,27)13-8-6-12(7-9-13)19(23)24)16-10-17-18(28-20(25)29-17)15-5-3-2-4-14(15)16/h2-10H,1H3,(H,23,24)