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

Systemtic Name: 4-[(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)-pentanoyl-sulfamoyl]benzoic acid Openeye Name: 4-[(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-pentanoyl-sulfamoyl]benzoic acid CAS Name: 4-[(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-(1-oxopentyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-pentanoylsulfamoyl]benzoic acid Traditional Name: 4-[(2-ketobenzo[g][1,3]benzoxathiol-5-yl)-valeryl-sulfamoyl]benzoic acid Formula: C23H19NO7S2 MolecularWeight: 485.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C23H19NO7S2/c1-2-3-8-20(25)24(33(29,30)15-11-9-14(10-12-15)22(26)27)18-13-19-21(31-23(28)32-19)17-7-5-4-6-16(17)18/h4-7,9-13H,2-3,8H2,1H3,(H,26,27)