Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC(C=C(C#N)C(=O)NC2=CC=CC3=CC=CC=C23)=C1

InChIKey

InChIKey=OICWZBRNDCAOAM-UHFFFAOYSA-N

Formula

C27H20N2O4S

Mass

468.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cinnamic acid amide - Coumaric acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Naphthalene - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - N-arylamide - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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