DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:53 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237568
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₃ClN₂O₅S₂
Molecular Mass	411.9954
SMILES	NS(=O)(=O)c1cc2cccc(Nc3ccccc3S(=O)(=O)O)c2cc1Cl
InChI Key	UJBWYGQGWKZZNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	naphthalene sulfonic acids and derivatives
Direct Parent	2-naphthalene sulfonamides
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives aminosulfonyl compounds aryl chlorides arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds chloronaphthalenes hydrocarbon derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides organosulfonic acids secondary amines
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety organochloride organosulfonic acid benzenesulfonate organosulfur compound organohalogen compound 2-naphthalene sulfonamide organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound benzenesulfonyl group aryl chloride 1-sulfo,2-unsubstituted aromatic compound aminosulfonyl compound chloronaphthalene aromatic homopolycyclic compound secondary amine aryl halide 2-naphthalene sulfonic acid or derivatives sulfonyl arylsulfonic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound amine

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