N-[(4-sulfamoylphenyl)methyl]acetamide

N-[(4-sulfamoylphenyl)methyl]acetamide bmse011379 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H12N2O3S

Natural Isotopic Abundance Mass: 228.26817999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 228.056863254
  • C13N14: 237.08705679600004
  • C12N15: 230.05093304000002
  • C13N15: 239.08112658200005

InChI string: InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)

wwPDB CCD: T0S

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)