Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(O)C(CCCCOS(=O)(=O)C2=CC=C(C)C=C2)=C(NC(C)=O)C=C1

InChIKey

InChIKey=SCWJVFSKSRFDAS-UHFFFAOYSA-N

Formula

C21H25NO7S

Mass

435.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - O-hydroxybenzoic acid ester - Benzenesulfonate ester - P-methylbenzenesulfonate - Acetanilide - Salicylic acid or derivatives - Benzoate ester - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzenesulfonyl group - Anilide - Benzoyl - N-arylamide - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Organosulfonic acid ester - Vinylogous acid - Acetamide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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