Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NN=CC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=XTJCYKXRSBCBCA-UHFFFAOYSA-N
Formula
C20H15BrN2O4S
Mass
459.31
Taxonomic Classification
Taxonomy Tree
-
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
3-halobenzoic acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Benzoyl derivatives Bromobenzenes Organosulfonic acid esters Aryl bromides Sulfonyls Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Organosulfonic acid ester - Aryl halide - Aryl bromide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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