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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
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
Benzenesulfonyl compounds Arylsulfonic acids and derivatives N-acylpyrrolidines Gamma-keto acids and derivatives Bromobenzenes Fatty acid esters Organosulfonic acid esters Aryl bromides Cyclopropanecarboxylic acids and derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Sulfonyls Methyl esters Tertiary amines Ketones Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
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