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

Systemtic Name: 4-[(2-oxidanylidene-1,3-benzoxathiol-5-yl)-pentanoyl-sulfamoyl]benzoic acid Openeye Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-pentanoyl-sulfamoyl]benzoic acid CAS Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-(1-oxopentyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(2-oxo-1,3-benzoxathiol-5-yl)-pentanoylsulfamoyl]benzoic acid Traditional Name: 4-[(2-keto-1,3-benzoxathiol-5-yl)-valeryl-sulfamoyl]benzoic acid Formula: C19H17NO7S2 MolecularWeight: 435.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7S2/c1-2-3-4-17(21)20(13-7-10-15-16(11-13)28-19(24)27-15)29(25,26)14-8-5-12(6-9-14)18(22)23/h5-11H,2-4H2,1H3,(H,22,23)