DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:52 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153165
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆ClN₃O₅S
Molecular Mass	361.0499
SMILES	NC(=O)C1CCN(c2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)CC1
InChI Key	UXBXUEFQVOCOHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	piperidines
Subclass	phenylpiperidines
Direct Parent	phenylpiperidines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminobenzenesulfonamides aminobenzoic acids and derivatives aminosulfonyl compounds aniline and substituted anilines aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds chlorobenzenes dialkylarylamines halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides piperidinecarboxamides primary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives organochloride benzoyl organonitrogen compound 1-carboxy-2-haloaromatic compound aminobenzoic acid or derivatives benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid azacycle aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene amine primary carboxylic acid amide organosulfonic acid or derivatives carbonyl group aminobenzenesulfonamide aromatic heteromonocyclic compound amino acid organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide tertiary aliphatic/aromatic amine organopnictogen compound benzoic acid dialkylarylamine tertiary amine aminosulfonyl compound piperidinecarboxamide aniline or substituted anilines benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylpiperidine benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02153165