basic_info |
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Product_Name: | 2-[(3,4-DIMETHYLPHENYL)(METHYLSULFONYL)AMINO]BUTANOIC ACID |
EnglishSynonyms: | 2-[N-(3,4-DIMETHYLPHENYL)METHANESULFONAMIDO]BUTANOIC ACID ; 2-[(3,4-DIMETHYLPHENYL)(METHYLSULFONYL)AMINO]BUTANOIC ACID |
pro_mdlNumber: | MFCD18170144 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | CCC(C(=O)O)N(c1ccc(c(c1)C)C)S(=O)(=O)C |
InChi: | InChI=1S/C13H19NO4S/c1-5-12(13(15)16)14(19(4,17)18)11-7-6-9(2)10(3)8-11/h6-8,12H,5H2,1-4H3,(H,15,16) |
InChiKey: | InChIKey=WXEFSMPZSSTVDD-UHFFFAOYSA-N |
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