BMRB

Biological Magnetic Resonance Data Bank


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

N-benzyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-benzyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide bmse011792 - Data

N-benzyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide synonyms

Wikipedia:

Graphical representations:

N-benzyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

View large 3D structure

Molecular Formula: C12H14N2O3S

Natural Isotopic Abundance Mass: 266.31615999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 266.072513318
  • C13N14: 278.1127713740001
  • C12N15: 268.066583104
  • C13N15: 280.10684116000004

InChI string: InChI=1S/C12H14N2O3S/c1-9-12(10(2)17-14-9)18(15,16)13-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3

IUPAC: b'3,5-dimethyl-N-(phenylmethyl)-1,2-oxazole-4-sulfonamide'

EU-OPENSCREEN: EOS102491

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)