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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:47 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189439
Frequency0.5
Structure
Chemical FormulaC17H28N2O4S
Molecular Mass356.177
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CCOCCO)CC2)cc1
InChI KeyDHTAQBRWGNAJJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • benzenesulfonyl compounds
  • cumenes
  • dialkyl ethers
  • hydrocarbon derivatives
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • phenylpropanes
  • sulfonyls
  • trialkylamines
    • Substituents
  • organosulfonic acid or derivatives
  • ether
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • dialkyl ether
  • organosulfonic acid amide
  • phenylpropane
  • organic oxide
  • piperazine
  • organonitrogen compound
  • organopnictogen compound
  • cumene
  • tertiary amine
  • organoheterocyclic compound
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • 1,4-diazinane
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound