Structure Information
Structure

Compound Identification

SMILES

CN(CC(=O)OCC(=O)C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=XRSCSZNPESNMTP-UHFFFAOYSA-N

Formula

C18H18BrNO5S

Mass

440.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - Alkyl-phenylketone - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Phenylketone - Benzenesulfonyl group - Benzoyl - Aryl ketone - Aryl alkyl ketone - Halobenzene - Bromobenzene - Toluene - Alpha-acyloxy ketone - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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