DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:30 UTC
Update Date	2025-03-25 00:55:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02214077
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉ClN₂O₄S
Molecular Mass	334.0754
SMILES	CCCN(CCC)c1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChI Key	DWYGYEMGAREFQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	aminobenzenesulfonamides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminobenzoic acids and derivatives aminosulfonyl compounds aniline and substituted anilines aryl chlorides benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes dialkylarylamines halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides vinylogous amides
Substituents	organosulfonic acid or derivatives aminobenzenesulfonamide carboxylic acid amino acid or derivatives amino acid organochloride benzoyl organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid dialkylarylamine aminobenzoic acid or derivatives tertiary amine benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid 4-halobenzoic acid aminosulfonyl compound aniline or substituted anilines benzoic acid or derivatives halobenzoic acid or derivatives aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound halobenzene amine organooxygen compound

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