Compound Identification
SMILES
CC(C)CN(CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1)C(=O)C(Cl)C1=CC=CC=C1
InChIKey
InChIKey=KUHOLWMSTSXMIW-UHFFFAOYSA-N
Formula
C25H25ClFNO4S
Mass
489.99
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
Phenylacetamides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Fluorobenzenes Organosulfonic acid esters Aryl fluorides Tertiary carboxylic acid amides Sulfonyls Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Phenylacetamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - 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 - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen 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