Compound Identification
SMILES
COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)NC1=C(F)C=C(F)C=C1
InChIKey
InChIKey=SBGWNNMBFSHHOK-UHFFFAOYSA-N
Formula
C24H21F5N2O5S
Mass
544.49
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
Trifluoromethylbenzenes N-phenylureas Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Fluorobenzenes Aryl fluorides Organosulfonic acid esters Sulfonyls Ureas Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - N-phenylurea - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Urea - Ether - Dialkyl ether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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