Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N2CCCCCC2)=C1

InChIKey

InChIKey=RZHKMSDRPNNJMJ-UHFFFAOYSA-N

Formula

C21H22N2O5S

Mass

414.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Aryl ketone - Styrene - Azepane - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Enone - Sulfonyl - Alpha,beta-unsaturated ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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