Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=NC2=C(NC1=O)C=C(Cl)C=C2)C(=NN)C(=O)NC1=C(C=C(Cl)C(C)=C1)S(O)(=O)=O

InChIKey

InChIKey=ZHOJXKTUXQOCGC-UHFFFAOYSA-N

Formula

C21H19Cl2N5O7S

Mass

556.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-methylbenzenesulfonate - Quinoxaline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Chlorobenzene - Fatty acid ester - Halobenzene - Toluene - Aryl chloride - Aryl halide - Fatty amide - Pyrazine - Fatty acyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Methyl ester - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organosulfur compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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