Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C(NCC1=CC=CC=N1)C1=CC=C(Br)C=C1)C(O)=O)CC1=CC=CC=N1

InChIKey

InChIKey=HTRGKVOJIIYXQM-UHFFFAOYSA-N

Formula

C29H29BrN4O4S

Mass

609.54

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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 - Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Benzenesulfonyl group - 2-pyridylmethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Organosulfonic acid amide - Aryl bromide - Pyridine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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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