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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:01 UTC
Update Date2025-03-25 00:51:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187672
Frequency0.5
Structure
Chemical FormulaC15H17ClN2O4S
Molecular Mass356.0598
SMILESCC(C)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1
InChI KeyLWKHBRHULKEPOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl alkyl ketones
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • benzoyl derivatives
  • chlorobenzenes
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylalkylamines
  • phenylpropanes
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • furan
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • organochloride
  • benzoyl
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • phenylpropane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • benzenesulfonamide
  • aminosulfonyl compound
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • oxacycle
  • sulfonyl
  • organic sulfonic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • alkyl-phenylketone