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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:36 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195724
Frequency0.5
Structure
Chemical FormulaC10H14N2O2S
Molecular Mass226.0776
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C
InChI KeyFGJUAGXFRUPIIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • indole
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine