Compound Identification
SMILES
O=C1CC(=O)N(C(=O)N1C1CCCCC1)C1=CC=CC=C1S(=O)(=O)OC1=CC=CC=C1
InChIKey
InChIKey=BEFDXEZAPJMFBK-UHFFFAOYSA-N
Formula
C22H22N2O6S
Mass
442.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Benzenesulfonyl compounds Barbituric acid derivatives Arylsulfonic acids and derivatives Phenoxy compounds N-acyl ureas Organosulfonic acid esters Diazinanes 1,3-dicarbonyl compounds Sulfonyls Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Barbiturate - Benzenesulfonyl group - Phenoxy compound - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Organosulfonic acid ester - 1,3-dicarbonyl compound - Dicarboximide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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