Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=C(C)C=CC(C)=C2)C=CC(C=NNC(=O)C2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=DPMUQMFIIGUKSW-UHFFFAOYSA-N
Formula
C23H21FN2O5S
Mass
456.49
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
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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
4-halobenzoic acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives p-Xylenes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Organosulfonic acid esters Aryl fluorides Sulfonyls Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - P-xylene - Xylene - Methoxybenzene - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Organosulfonic acid ester - Aryl fluoride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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