Compound Identification
SMILES
COCC(=O)NC1=C(C=C(NC(N)=NC(=O)OC)C=C1)S(=O)(=O)OC1=CC=CC(OC(C)C)=C1
InChIKey
InChIKey=JFUGRJNJTYSFCE-UHFFFAOYSA-N
Formula
C21H26N4O8S
Mass
494.52
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
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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
Anilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Imine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic homomonocyclic 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