3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propanoic acid Openeye Name: 3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propanoic acid CAS Name: 3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propanoic acid IUPAC Name: 3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propanoic acid Traditional Name: 3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)sulfamoyl]propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)NS(=O)(=O)CCC(=O)O)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)NS(=O)(=O)CCC(=O)O)C

InChI

InChI=1S/C12H15NO6S/c1-12(2)18-9-4-3-8(7-10(9)19-12)13-20(16,17)6-5-11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)