3-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]propanoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]propanoic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]propanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]propanoic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]propanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]propionic acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CN(CCC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C12H17NO6S/c1-13(7-6-12(14)15)20(16,17)9-4-5-10(18-2)11(8-9)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,15)