4-[(3-oxidanidyl-1-oxidanylidene-isoindol-5-yl)sulfamoyl]butanoate

Systemtic Name: 4-[(3-oxidanidyl-1-oxidanylidene-isoindol-5-yl)sulfamoyl]butanoate Openeye Name: 4-[(3-oxido-1-oxo-isoindol-5-yl)sulfamoyl]butanoate CAS Name: 4-[(3-oxido-1-oxo-5-isoindolyl)sulfamoyl]butanoate IUPAC Name: 4-[(3-oxido-1-oxoisoindol-5-yl)sulfamoyl]butanoate Traditional Name: 4-[(1-keto-3-oxido-isoindol-5-yl)sulfamoyl]butyrate Formula: C12H10N2O6S-2 MolecularWeight: 310.2826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NS(=O)(=O)CCCC(=O)[O-])C(=NC2=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1NS(=O)(=O)CCCC(=O)[O-])C(=NC2=O)[O-]

InChI

InChI=1S/C12H12N2O6S/c15-10(16)2-1-5-21(19,20)14-7-3-4-8-9(6-7)12(18)13-11(8)17/h3-4,6,14H,1-2,5H2,(H,15,16)(H,13,17,18)/p-2