Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC(NC(=O)C2CCN(CC2)S(=O)(=O)C2=C(C)C=CC(=C2)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=ZCWHBDFUXBSUKH-UHFFFAOYSA-N

Formula

C21H23N3O6S

Mass

445.49

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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 - Benzenesulfonamide - Piperidinecarboxamide - Nitrobenzene - Anilide - Nitrotoluene - Acetophenone - Benzenesulfonyl group - Aryl alkyl ketone - N-arylamide - Benzoyl - Nitroaromatic compound - Toluene - Benzenoid - Organosulfonic acid amide - Piperidine - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic zwitterion - 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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