2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-oxidanyl-butanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-oxidanyl-butanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-hydroxy-butanoic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-hydroxybutanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-hydroxybutanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-hydroxy-butyric acid Formula: C12H15NO7S MolecularWeight: 317.315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2)O

Isomeric SMILES

CC(C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2)O

InChI

InChI=1S/C12H15NO7S/c1-7(14)11(12(15)16)13-21(17,18)8-2-3-9-10(6-8)20-5-4-19-9/h2-3,6-7,11,13-14H,4-5H2,1H3,(H,15,16)