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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:31 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177441
Frequency0.5
Structure
Chemical FormulaC24H35N3O4S
Molecular Mass461.2348
SMILESCc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)CCN)cc1
InChI KeyUOHYENCMPYPKGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent n,n-disubstituted p-toluenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • amphetamines and derivatives
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenylbutylamines
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • n,n-disubstituted p-toluenesulfonamide
  • organosulfonic acid or derivatives
  • carbonyl group
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • amphetamine or derivatives
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • aminosulfonyl compound
  • carboxamide group
  • beta amino acid or derivatives
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound