Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCC(=O)NC1=NC2=C(N1)C=C(OS(=O)(=O)C1=CC=C(NC3CCCC3)C=C1)C=C2

InChIKey

InChIKey=SACJIDWWQPWDCB-UHFFFAOYSA-N

Formula

C24H28N4O6S

Mass

500.57

Export to:

JSON SDF CSV

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 - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Fatty acid ester - Secondary aliphatic/aromatic amine - Fatty acid methyl ester - Fatty acyl - Fatty amide - Organosulfonic acid ester - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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

Previous Back Next