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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:07 UTC
Update Date2025-03-25 00:46:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156084
Frequency0.5
Structure
Chemical FormulaC18H31N3O4S2
Molecular Mass417.1756
SMILESCSCCC(NC(C)=O)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
InChI KeyNBSHVJJFNXQXJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • primary amines
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • sulfenyl compound
  • aminosulfonyl compound
  • dialkylthioether
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound