Compound Identification
SMILES
COCCN(CC1=CC(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)=C(OC)C=C1)C(=O)NC1=C(C=CC=C1C(C)C)C(C)C
InChIKey
InChIKey=UOOKRXUQSMKUHD-UHFFFAOYSA-N
Formula
C31H37F3N2O6S
Mass
622.7
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 Phenylpropanes Cumenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Ureas Dialkyl ethers Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Trifluoromethylbenzene - Phenylpropane - Cumene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organosulfonic acid ester - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Urea - Dialkyl ether - Ether - Organofluoride - Organohalogen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Organonitrogen compound - Organooxygen 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