Compound Identification
SMILES
COC1=CC(OC)=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=VZEYYDOHAIAUKC-UHFFFAOYSA-N
Formula
C25H27FN2O6S
Mass
502.56
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
Dimethoxybenzenes N-phenylureas Arylsulfonic acids and derivatives Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organosulfonic acid esters Sulfonyls Ureas Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Dimethoxybenzene - M-dimethoxybenzene - Arylsulfonic acid or derivatives - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Ether - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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