Compound Identification
SMILES
ClC1=CC=CC(Cl)=C1S(=O)(=O)OC1=CC2=C(C=C1)N=C(NC(=O)CCC1=CN=CC=C1)N2
InChIKey
InChIKey=JKJZWXQYIUGBIY-UHFFFAOYSA-N
Formula
C21H16Cl2N4O4S
Mass
491.34
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
-
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzimidazoles N-arylamides Dichlorobenzenes Pyridines and derivatives Organosulfonic acid esters Aryl chlorides Fatty amides Sulfonyls Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - 1,3-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Fatty amide - Pyridine - Organosulfonic acid ester - Fatty acyl - Organic sulfonic acid or derivatives - Sulfonyl - Azole - Organosulfonic acid or derivatives - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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