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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:14 UTC
Update Date2025-03-25 00:48:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167582
Frequency0.5
Structure
Chemical FormulaC20H29N3O3S
Molecular Mass391.193
SMILESCC(C)CN(CC(Cc1ccccc1)C(N)O)S(=O)(=O)c1ccc(N)cc1
InChI KeyVNHMOVYNMAVHKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • hemiaminals
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • Substituents
  • organosulfonic acid or derivatives
  • benzenesulfonamide
  • aminosulfonyl compound
  • organosulfur compound
  • hemiaminal
  • organosulfonic acid amide
  • aromatic homomonocyclic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • alkanolamine
  • benzenesulfonyl group