Structure Information
Structure

Compound Identification

SMILES

CCn1c(C(=O)NC)c(C(=O)NC)[n+](CC)c1OS(=O)(=O)c1ccccc1

InChIKey

InChIKey=MPPXGDQPLGORQW-UHFFFAOYSA-O

Formula

C17H23N4O5S

Mass

395.45

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - N-substituted imidazole - Organosulfonic acid ester - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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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