Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=NOC2=CC=CC=C12
InChIKey
InChIKey=SIXNKGXJEIVCDH-UHFFFAOYSA-N
Formula
C15H12N2O5S
Mass
332.33
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
Acetanilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzisoxazoles N-acetylarylamines Organosulfonic acid esters Isoxazoles Heteroaromatic compounds Acetamides Sulfonyls Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Arylsulfonic acid or derivatives - N-acetylarylamine - Anilide - Benzenesulfonyl group - Benzisoxazole - N-arylamide - Organosulfonic acid ester - Isoxazole - Azole - Acetamide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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