Methyl 4-sulfamoylbenzoate

Methyl 4-sulfamoylbenzoate bmse011366 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C8H9NO4S

Natural Isotopic Abundance Mass: 215.22635999999991

Mono-Isotopic Molecular Masses:

  • C12N14: 215.025228773
  • C13N14: 223.05206747700004
  • C12N15: 216.02226366600001
  • C13N15: 224.04910237000004

InChI string: InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

IUPAC: methyl 4-sulfamoylbenzoate

wwPDB CCD: RZG

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)