Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=NOC2=C1C=C(Br)C=C2
InChIKey
InChIKey=SHVTUHIKGCSYSI-UHFFFAOYSA-N
Formula
C15H11BrN2O5S
Mass
411.23
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
-
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
Acetanilides N-acetylarylamines Arylsulfonic acids and derivatives Benzisoxazoles Benzenesulfonyl compounds Organosulfonic acid esters Aryl bromides Sulfonyls Acetamides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Anilide - N-acetylarylamine - Benzisoxazole - Benzenesulfonyl group - Arylsulfonic acid or derivatives - N-arylamide - Aryl halide - Aryl bromide - Organosulfonic acid ester - Azole - Acetamide - Isoxazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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