Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N1CC[N+](CC1)=C(N)N[N+]([O-])=O

InChIKey

InChIKey=ITCBQKIURGSDEL-UHFFFAOYSA-O

Formula

C12H18N5O4S

Mass

328.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Tosyl compounds - P-toluenesulfonamides

Direct Parent

N,N-disubstituted p-toluenesulfonamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Nitroguanidine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Nitramine - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Guanidine - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.

External Descriptors

Not available

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