Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SZUDSUHEGJFCKR-UHFFFAOYSA-N

Formula

C21H25N5O4S

Mass

443.52

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 - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organosulfonic acid ester - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Urea - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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

Previous Back Next