Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=C(Br)C=C(C=C2C(=O)NC(=O)NC2=O)C=C1
InChIKey
InChIKey=KVAQVVPDVJAKQW-UHFFFAOYSA-N
Formula
C19H14BrN3O7S
Mass
508.3
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
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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
Acetanilides Arylsulfonic acids and derivatives Barbituric acid derivatives Benzenesulfonyl compounds N-acetylarylamines Phenoxy compounds N-acyl ureas Bromobenzenes Aryl bromides Organosulfonic acid esters Diazinanes Acetamides Sulfonyls Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Arylsulfonic acid or derivatives - Barbiturate - N-acetylarylamine - Benzenesulfonyl group - Anilide - Phenoxy compound - N-arylamide - Bromobenzene - Halobenzene - N-acyl urea - Pyrimidone - Ureide - Aryl bromide - Aryl halide - 1,3-diazinane - Pyrimidine - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Acetamide - Sulfonyl - Organosulfonic acid or derivatives - Dicarboximide - Secondary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen 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