4-[butanoyl-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoate

Systemtic Name: 4-[butanoyl-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoate Openeye Name: 4-[butanoyl-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoate CAS Name: 4-[(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-(1-oxobutyl)sulfamoyl]benzoate IUPAC Name: 4-[butanoyl-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoate Traditional Name: 4-[butyryl-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)sulfamoyl]benzoate Formula: C22H16NO7S2- MolecularWeight: 470.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C22H17NO7S2/c1-2-5-19(24)23(32(28,29)14-10-8-13(9-11-14)21(25)26)17-12-18-20(30-22(27)31-18)16-7-4-3-6-15(16)17/h3-4,6-12H,2,5H2,1H3,(H,25,26)/p-1