Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC=CC=C2[N+]([O-])=O)C=CC(C=NNC2=CC(=NC(=N2)N(C)C)N(C)C)=C1

InChIKey

InChIKey=PDZJIEKNBDVURF-UHFFFAOYSA-N

Formula

C22H25N7O6S

Mass

515.55

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Dialkylarylamine - Methoxybenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Alkyl aryl ether - Aminopyrimidine - Organosulfonic acid ester - Imidolactam - Pyrimidine - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Ether - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic zwitterion - 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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