Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC(=O)N(CC2=CC=C(OS(=O)(=O)C3=CC=C(F)C=C3)C=C2)C(C)C)C=C1
InChIKey
InChIKey=IROXEUUJKDLQEJ-UHFFFAOYSA-N
Formula
C26H27FN2O6S
Mass
514.57
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 Benzoic acid esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Fluorobenzenes Organosulfonic acid esters Aryl fluorides Sulfonyls Ureas Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Benzoate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Urea - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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