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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:57 UTC
Update Date2025-03-25 00:59:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239995
Frequency0.5
Structure
Chemical FormulaC12H17ClN2O2S
Molecular Mass288.0699
SMILESNCCC1CCCc2cc(Cl)c(S(N)(=O)=O)cc21
InChI KeyVCOWNTJOYFVTBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • aryl chloride
  • tetralin
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • organochloride
  • aromatic homopolycyclic compound
  • organosulfur compound
  • organohalogen compound
  • aryl halide
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound