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-piperidin-1-ylsulfonylaniline

4-piperidin-1-ylsulfonylaniline bmse012466 - Data

4-piperidin-1-ylsulfonylaniline synonyms

Wikipedia:

Graphical representations:

4-piperidin-1-ylsulfonylaniline

View large 3D structure

Molecular Formula: C11H16N2O2S

Natural Isotopic Abundance Mass: 240.32194

Mono-Isotopic Molecular Masses:

  • C12N14: 240.093248762
  • C13N14: 251.13015198000005
  • C12N15: 242.087318548
  • C13N15: 253.12422176600006

InChI string: InChI=1S/C11H16N2O2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2

IUPAC: b'4-piperidin-1-ylsulfonylaniline'

EU-OPENSCREEN: EOS103230

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)