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

Systemtic Name: 4-[butanoyl-(2-oxidanylidene-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate Openeye Name: 4-[butanoyl-(2-oxo-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate CAS Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-(1-oxobutyl)sulfamoyl]benzoate IUPAC Name: 4-[butanoyl-(2-oxo-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate Traditional Name: 4-[butyryl-(2-keto-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate Formula: C18H14NO7S2- MolecularWeight: 420.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H15NO7S2/c1-2-3-16(20)19(12-6-9-14-15(10-12)27-18(23)26-14)28(24,25)13-7-4-11(5-8-13)17(21)22/h4-10H,2-3H2,1H3,(H,21,22)/p-1