Compound Identification
SMILES
COCCN(CC1=CC(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)=C(OC)C=C1)C(=O)NC1=CC=CC(C)=C1
InChIKey
InChIKey=INLKRIVTDKENBS-UHFFFAOYSA-N
Formula
C26H27F3N2O6S
Mass
552.57
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
N-phenylureas Trifluoromethylbenzenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Toluenes Organosulfonic acid esters Sulfonyls Ureas Dialkyl ethers Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Dialkyl ether - Ether - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxygen 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