BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

(2S)-N-(4-chlorophenyl)-2-methylsulfonylpropanamide

(2S)-N-(4-chlorophenyl)-2-methylsulfonylpropanamide bmse011808 - Data

(2S)-N-(4-chlorophenyl)-2-methylsulfonylpropanamide synonyms

Wikipedia:

Graphical representations:

(2S)-N-(4-chlorophenyl)-2-methylsulfonylpropanamide

View large 3D structure

Molecular Formula: C10H12ClNO3S

Natural Isotopic Abundance Mass: 261.72518

Mono-Isotopic Molecular Masses:

  • C12N14: 261.022641929
  • C13N14: 271.05619030900004
  • C12N15: 262.019676822
  • C13N15: 272.053225202

InChI string: InChI=1S/C10H12ClNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1

EU-OPENSCREEN: EOS102508

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)