Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC(NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=ZLMWFEBCACAJAM-UHFFFAOYSA-N

Formula

C22H17N5O5S

Mass

463.47

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Quinoxaline - Benzenesulfonamide - Acetophenone - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aniline or substituted anilines - Benzoyl - Aminopyrazine - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Pyrazine - Imidolactam - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organic salt - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic zwitterion - Aromatic heteropolycyclic 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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