methyl 3-[[2,4-bis(methylsulfonyl)phenyl]amino]propanoate

Systemtic Name: methyl 3-[[2,4-bis(methylsulfonyl)phenyl]amino]propanoate Openeye Name: methyl 3-[2,4-bis(methylsulfonyl)anilino]propanoate CAS Name: 3-[2,4-bis(methylsulfonyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[2,4-bis(methylsulfonyl)anilino]propanoate Traditional Name: 3-(2,4-dimesylanilino)propionic acid methyl ester Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H17NO6S2/c1-19-12(14)6-7-13-10-5-4-9(20(2,15)16)8-11(10)21(3,17)18/h4-5,8,13H,6-7H2,1-3H3