(2S)-2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate Openeye Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate CAS Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate IUPAC Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]propanoate Traditional Name: (2S)-2-[mesyl(piperonyl)amino]propionate Formula: C12H14NO6S- MolecularWeight: 300.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)[O-])N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

InChI

InChI=1S/C12H15NO6S/c1-8(12(14)15)13(20(2,16)17)6-9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,14,15)/p-1/t8-/m0/s1