Structure Information
Structure

Compound Identification

SMILES

CCCN1C(N)=C(NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC2=CC=CC(=C2)[N+]([O-])=O)C(=O)N(CCC)C1=O

InChIKey

InChIKey=WDTKOTBKGHBFEQ-UHFFFAOYSA-N

Formula

C23H25N5O8S

Mass

531.54

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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 heteromonocyclic compounds

Substituents

Benzenesulfonate ester - Nitrobenzene - Benzoic acid or derivatives - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzamide - Benzoyl - Phenoxy compound - Nitroaromatic compound - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Organosulfonic acid ester - Sulfonyl - Vinylogous amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Amine - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteromonocyclic 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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