Structure Information
Structure

Compound Identification

SMILES

CN\C(NCCSCC1=CSC(COS(=O)(=O)C2=CC=CC=C2)=N1)=C/[N+]([O-])=O

InChIKey

InChIKey=GXMHGIDAJAPUCZ-OQLLNIDSSA-N

Formula

C16H20N4O5S3

Mass

444.54

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid ester - Azole - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Thioether - Dialkylthioether - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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