Compound Identification
SMILES
COC1=CC=CC(NC(=O)N(CC2=CC=CO2)CC2=CC(OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)=CC=C2)=C1
InChIKey
InChIKey=PCRCHKSOILCKSH-UHFFFAOYSA-N
Formula
C27H23F3N2O6S
Mass
560.54
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 N-phenylureas Arylsulfonic acids and derivatives Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonic acid esters Heteroaromatic compounds Furans Sulfonyls Ureas Oxacyclic compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - N-phenylurea - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid ester - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Urea - Organoheterocyclic compound - Oxacycle - Ether - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - 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