3-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]propanoate Openeye Name: 3-(3,4-dimethoxy-N-methylsulfonyl-anilino)propanoate CAS Name: 3-(3,4-dimethoxy-N-methylsulfonylanilino)propanoate IUPAC Name: 3-(3,4-dimethoxy-N-methylsulfonylanilino)propanoate Traditional Name: 3-(N-mesyl-3,4-dimethoxy-anilino)propionate Formula: C12H16NO6S- MolecularWeight: 302.32354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCC(=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCC(=O)[O-])S(=O)(=O)C)OC

InChI

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