3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate Traditional Name: 3-[mesyl(piperonyl)amino]propionate Formula: C12H14NO6S- MolecularWeight: 300.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)[O-])CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)[O-])CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H15NO6S/c1-20(16,17)13(5-4-12(14)15)7-9-2-3-10-11(6-9)19-8-18-10/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)/p-1