Methyl 3-(methanesulfonamido)benzoate

Methyl 3-(methanesulfonamido)benzoate bmse011710 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H11NO4S

Natural Isotopic Abundance Mass: 229.2529399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 229.040878837
  • C13N14: 238.07107237900004
  • C12N15: 230.03791373
  • C13N15: 239.06810727200005

InChI string: InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3

wwPDB CCD: 6SU

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)