Structure Information
Structure

Compound Identification

SMILES

CC1=NC(CS(=O)(=O)C2=CC=C(C)C=C2)=C(N1CCO)[N+]([O-])=O

InChIKey

InChIKey=BTYSWSMFPDXQIQ-UHFFFAOYSA-N

Formula

C14H17N3O5S

Mass

339.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Tosyl compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tosyl compound - 1,2,4,5-tetrasubstituted imidazole - Benzenesulfonyl group - Nitroimidazole - Nitroaromatic compound - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).

External Descriptors

Not available

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