Structure Information
Structure

Compound Identification

SMILES

CC(O)(CSC1=NC=CS1)C(=O)OS(=O)(=O)C1=CC=C(NCC(=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=AXJBOPMDIRYSHE-UHFFFAOYSA-N

Formula

C21H19ClN2O6S3

Mass

527.02

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Benzenesulfonate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl thioether - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-aminoketone - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Alcohol - Amine - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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