Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC(C=C2SC(NC3=CC=C(Cl)C=C3)=NC2=O)=C1
InChIKey
InChIKey=ZOODMRAFZLGLTN-UHFFFAOYSA-N
Formula
C24H18ClN3O5S2
Mass
527.99
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 Benzenesulfonyl compounds N-acetylarylamines Aniline and substituted anilines Phenoxy compounds Chlorobenzenes Aryl chlorides Organosulfonic acid esters Thiazolines Acetamides Sulfonyls Isothioureas Secondary carboxylic acid amides N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzenesulfonyl group - Anilide - Phenoxy compound - N-arylamide - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Sulfonyl - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - N-acylimine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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