Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(F)C=C2)C=C(CN(CC(C)C)C(=O)NC2=CC=CC(C)=C2)C=C1
InChIKey
InChIKey=IILHZQVMKJOKFK-UHFFFAOYSA-N
Formula
C26H29FN2O5S
Mass
500.59
Taxonomic Classification
Taxonomy Tree
-
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
N-phenylureas Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Toluenes Organosulfonic acid esters Aryl fluorides Sulfonyls Ureas Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Toluene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Organosulfonic acid ester - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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