| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:06 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14ClNO2S |
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| Molecular Mass | 259.0434 |
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| SMILES | CN1CCc2cc(Cl)c(S(C)(=O)=O)cc2C1 |
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| InChI Key | HEUWESQTCNGJSO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundssulfonestrialkylamines |
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| Substituents | aryl chlorideazacycleorganochloridetertiary aliphatic amineorganosulfur compoundorganohalogen compoundaralkylaminearyl halideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary aminesulfone |
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