BMRB

Biological Magnetic Resonance Data Bank


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

1-acetyl-N-propan-2-yl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-propan-2-yl-2,3-dihydroindole-5-sulfonamide bmse011856 - Data

1-acetyl-N-propan-2-yl-2,3-dihydroindole-5-sulfonamide synonyms

Wikipedia:

Graphical representations:

1-acetyl-N-propan-2-yl-2,3-dihydroindole-5-sulfonamide

View large 3D structure

Molecular Formula: C13H18N2O3S

Natural Isotopic Abundance Mass: 282.35862

Mono-Isotopic Molecular Masses:

  • C12N14: 282.103813446
  • C13N14: 295.14742634000004
  • C12N15: 284.097883232
  • C13N15: 297.1414961260001

InChI string: InChI=1S/C13H18N2O3S/c1-9(2)14-19(17,18)12-4-5-13-11(8-12)6-7-15(13)10(3)16/h4-5,8-9,14H,6-7H2,1-3H3

IUPAC: b'1-acetyl-N-propan-2-yl-2,3-dihydroindole-5-sulfonamide'

EU-OPENSCREEN: EOS102557

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)