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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:43 UTC
Update Date2025-03-25 00:48:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170917
Frequency0.5
Structure
Chemical FormulaC11H12N2O2S
Molecular Mass236.0619
SMILESCNc1cccc2cc(S(N)(=O)=O)ccc12
InChI KeyYNTASLXYTWCASE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonamides
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 2-naphthalene sulfonic acids and derivatives
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • secondary alkylarylamines
    • Substituents
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • aromatic homopolycyclic compound
  • secondary amine
  • organosulfur compound
  • 2-naphthalene sulfonamide
  • secondary aliphatic/aromatic amine
  • organosulfonic acid amide
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine