Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(Cl)C=C(C=C2C(=N)N3N=C(SC3=NC2=O)C2=CN=CC=C2)C=C1
InChIKey
InChIKey=CRQMIWKQKKZYCL-UHFFFAOYSA-N
Formula
C24H16ClN5O4S2
Mass
537.99
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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Pyrimidones Chlorobenzenes Pyridines and derivatives Aryl chlorides Organosulfonic acid esters Imidolactams Hydropyrimidines Thiadiazolines Sulfonyls Heteroaromatic compounds N-acylimines Amidines Carboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Chlorobenzene - Halobenzene - Pyrimidone - Toluene - Aryl chloride - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyridine - Pyrimidine - Organosulfonic acid ester - Imidolactam - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiadiazoline - N-acylimine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Amidine - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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