Compound Identification
SMILES
FC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(CN(CC2=CC=CO2)C(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=LNFPUCMKWKIZRD-UHFFFAOYSA-N
Formula
C25H19BrFNO5S
Mass
544.39
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
2-halobenzoic acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives Benzamides Benzoyl derivatives Phenoxy compounds Bromobenzenes Fluorobenzenes Organosulfonic acid esters Aryl bromides Aryl fluorides Vinylogous halides Heteroaromatic compounds Furans Sulfonyls Tertiary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoyl - Phenoxy compound - Fluorobenzene - Bromobenzene - Halobenzene - Aryl bromide - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Furan - Vinylogous halide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organobromide - Organohalogen compound - 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