Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N1CCC[C@H]1CN1C(Br)=NC2=C1N=CN=C2N

InChIKey

InChIKey=OHKZQVYVGRCJTH-LBPRGKRZSA-N

Formula

C17H19BrN6O2S

Mass

451.34

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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 heteropolycyclic compounds

Substituents

N,n-disubstituted p-toluenesulfonamide - 6-aminopurine - Benzenesulfonamide - Benzenesulfonyl group - Imidazopyrimidine - Purine - Aminopyrimidine - Aryl bromide - Aryl halide - N-substituted imidazole - Imidolactam - Organosulfonic acid amide - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organosulfur compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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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