Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]12CCN3C(=O)C[C@@H]4CCCC[C@]34[C@@H]1CC(=O)O2
InChIKey
InChIKey=YHRWJFMTJVBYNA-REIYTJMXSA-N
Formula
C22H27NO6S
Mass
433.52
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
-
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
p-Methylbenzenesulfonates Tosyl compounds Azaspirodecane derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Indoles and derivatives Indolizidines Pyrrolidine-2-ones Gamma butyrolactones Piperidines N-alkylpyrrolidines Organosulfonic acid esters Oxolanes Sulfonyls Tertiary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Azaspirodecane - Tosyl compound - Arylsulfonic acid or derivatives - Indole or derivatives - Indolizidine - Benzenesulfonyl group - Toluene - Gamma butyrolactone - N-alkylpyrrolidine - Piperidine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid ester - Oxolane - Pyrrolidine - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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