Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(CC(=O)C2C[C@@H](CN2C(=O)[C@@H](CC(=O)OC2C[C@@H]3C[C@@H]3C2)C(C)(C)C)OS(=O)(=O)C2=CC=C(Br)C=C2)C[C@H]1C=C

InChIKey

InChIKey=NOQCQEWRIWJTOP-RQJAFGKJSA-N

Formula

C33H42BrNO9S

Mass

708.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - N-acylpyrrolidine - Gamma-keto acid - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Fatty acyl - Dicarboxylic acid or derivatives - Keto acid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Methyl ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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