Compound Identification
SMILES
COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)C1=CC=CS1
InChIKey
InChIKey=KBYVHDQAEBFGGK-UHFFFAOYSA-N
Formula
C22H20F3NO5S2
Mass
499.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Thiophene carboxamides Phenoxy compounds 2-heteroaryl carboxamides Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Phenoxy compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic 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