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CAS Number: 695215-94-2
3-(methoxycarbonyl)-5-(N-methylmethylsulfonamido)benzoic acid

Structure

3-(methoxycarbonyl)-5-(N-methylmethylsulfonamido)benzoic acid
Name: 3-(methoxycarbonyl)-5-(N-methylmethylsulfonamido)benzoic acid
Synonyms:
General Information
Product Number: 695215942
CAS Registry Number: 695215-94-2
Name:
        1,​3-​Benzenedicarboxylic acid, 5-​[methyl(methylsulfon​yl)​amino]​-​, 1-​methyl ester
        1,​3-​Benzenedicarboxylic acid, 5-​[methyl(methylsulfon​yl)​amino]​-​, monomethyl ester (9CI); 3-​(Methoxycarbonyl)​-​5-​[N-​methyl(methylsulfony​l)​amino]​benzoic acid; 3-​(Methoxycarbonyl)​-​5-​[N-​methyl-​N-​(methylsulfonyl)​amino]​benzoic acid; 3-​(Methoxycarbonyl)​-​5-​[methyl(methylsulfon​yl)​amino]​benzoic acid 
        Deleted CAS Registry Numbers: 872722-​17-​3
 
Chemical Formula: C11H13NO6S
Exact Mass: 287.05
Molecular Weight: 287.29
m/z: 287.05 (100.0%), 288.05 (13.1%), 289.04 (4.5%), 289.05 (2.0%)
Elemental Analysis: C, 45.99; H, 4.56; N, 4.88; O, 33.41; S, 11.16
 
InChI: InChI=1S/C11H13NO6S/c1-12(19(3,16)17)9-5-7(10(13)14)4-8(6-9)11(15)18-2/h4-6H,1-3H3,(H,13,14)
InChIKey: FLJKJNQTDSNBLQ-UHFFFAOYSA-N
Canonical SMILES : CN(C1=CC(=CC(=C1)C(=O)OC)C(=O)O)S(=O)(=O)C

Specification

98%

References
  1. (1) Stachel, Shawn J.; Journal of Medicinal Chemistry 2004, V47(26), P6447-6450 CAPLUS
  2. (2) Ghosh, Arun K.; Journal of Medicinal Chemistry 2007, V50(10), P2399-2407 CAPLUS
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