bmse011687 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-(4-phenylphenyl)methanesulfonamide

N-(4-phenylphenyl)methanesulfonamide bmse011687 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C13H13NO2S

Natural Isotopic Abundance Mass: 247.31281999999987

Mono-Isotopic Molecular Masses:

C12N14: 247.066699661
C13N14: 260.1103125550002
C12N15: 248.063734554
C13N15: 261.1073474480002

InChI string: InChI=1S/C13H13NO2S/c1-17(15,16)14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14H,1H3

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)