Compound Identification
SMILES
COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)NC1=CC=CC(C)=C1C
InChIKey
InChIKey=STNBGTYPFZCOCX-UHFFFAOYSA-N
Formula
C26H27F3N2O5S
Mass
536.57
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
Trifluoromethylbenzenes N-phenylureas Arylsulfonic acids and derivatives Benzenesulfonyl compounds o-Xylenes Phenoxy compounds Organosulfonic acid esters Sulfonyls Ureas Dialkyl ethers Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - O-xylene - Xylene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Urea - Dialkyl ether - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - 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