Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC#N)C=CC(C=CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(N)(=O)=O)=C1

InChIKey

InChIKey=JTRCJMWYVOPWNH-UHFFFAOYSA-N

Formula

C22H23N3O7S

Mass

473.5

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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 homomonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Cyanide - Organosulfur compound - Aromatic homomonocyclic 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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