BMRB

Biological Magnetic Resonance Data Bank


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

4-cyclopentylsulfonylaniline

4-cyclopentylsulfonylaniline bmse011860 - Data

4-cyclopentylsulfonylaniline synonyms

Wikipedia:

Graphical representations:

4-cyclopentylsulfonylaniline

View large 3D structure

Molecular Formula: C11H15NO2S

Natural Isotopic Abundance Mass: 225.30730000000005

Mono-Isotopic Molecular Masses:

  • C12N14: 225.082349725
  • C13N14: 236.11925294300005
  • C12N15: 226.079384618
  • C13N15: 237.11628783600005

InChI string: InChI=1S/C11H15NO2S/c12-9-5-7-11(8-6-9)15(13,14)10-3-1-2-4-10/h5-8,10H,1-4,12H2

EU-OPENSCREEN: EOS102562

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)