Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=NOC2=C1C=C(C=C2)S(N)(=O)=O

InChIKey

InChIKey=CEWJCFUQXMMGMS-UHFFFAOYSA-N

Formula

C15H13N3O7S2

Mass

411.4

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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

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonate ester - Acetanilide - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzisoxazole - Benzenesulfonyl group - Anilide - N-arylamide - Organosulfonic acid amide - Organosulfonic acid ester - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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