3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoate

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoate Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoate CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoate IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]propionate Formula: C12H14NO6S- MolecularWeight: 300.30766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)[O-])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)[O-])C1=CC2=C(C=C1)OCCO2

InChI

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