Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1C=NNC(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=CVBNQOOOWFTAOT-UHFFFAOYSA-N
Formula
C21H17BrN2O4S
Mass
473.34
Taxonomic Classification
Taxonomy Tree
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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
p-Methylbenzenesulfonates Tosyl compounds 3-halobenzoic acids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Bromobenzenes Aryl bromides Organosulfonic acid esters Sulfonyls Carboxylic acids and derivatives Organobromides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen 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