DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:35 UTC
Update Date	2025-03-25 00:51:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186689
Frequency	0.5
Structure
Chemical Formula	C₉H₁₂ClN₃O₆S₂
Molecular Mass	356.9856
SMILES	Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)NCCS(=O)(=O)O
InChI Key	BDDGENCBFOEHGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	benzenesulfonamides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	4-halobenzoic acids and derivatives amino acids and derivatives aminosulfonyl compounds aryl chlorides benzamides benzenesulfonyl compounds benzoyl derivatives carboxylic acids and derivatives chlorobenzenes hydrocarbon derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides organosulfonic acids primary amines secondary carboxylic acid amides vinylogous amides
Substituents	organosulfonic acid or derivatives amino acid or derivatives organochloride organosulfonic acid benzoyl organosulfur compound carboxylic acid derivative organohalogen compound benzamide organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide benzenesulfonamide aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound halobenzene amine organooxygen compound

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