Compound Identification
SMILES
COC1=CC=C(NC(=O)N(CC2=CC=CO2)CC2=CC(OS(=O)(=O)C3=CC=C(F)C=C3)=CC=C2)C=C1
InChIKey
InChIKey=YTYAFFYOKQXMOH-UHFFFAOYSA-N
Formula
C26H23FN2O6S
Mass
510.54
Taxonomic Classification
Taxonomy Tree
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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 Methoxyanilines Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Organosulfonic acid esters Aryl fluorides Sulfonyls Heteroaromatic compounds Furans Ureas Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Arylsulfonic acid or derivatives - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Organosulfonic acid ester - Aryl halide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Urea - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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