Compound Identification
SMILES
COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=HPCIMFYTHWUVPJ-UHFFFAOYSA-N
Formula
C23H22FNO5S
Mass
443.49
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 Benzamides Arylsulfonic acids and derivatives Phenoxy compounds Benzoyl derivatives Fluorobenzenes Organosulfonic acid esters Aryl fluorides Tertiary carboxylic acid amides Sulfonyls Dialkyl ethers Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen 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