Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(CC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1
InChIKey
InChIKey=VKHYMDDDSPRQNN-UHFFFAOYSA-N
Formula
C21H16ClF3N2O4S
Mass
484.87
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
Acetanilides N-acetylarylamines Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Pyridines and derivatives Organosulfonic acid esters Aryl chlorides Sulfonyls Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Aryl chloride - Aryl halide - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Organic oxygen compound - 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