bmse011242 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-(4-sulfamoylphenyl)propanamide

N-(4-sulfamoylphenyl)propanamide bmse011242 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

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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/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)

IUPAC: N-(4-sulfamoylphenyl)propanamide

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)