Compound Identification
SMILES
CCOC1=C(OS(=O)(=O)C2=CC=CC=C2)C=CC(C=NNC2=NC(=CS2)C2=C(Cl)C=C(Cl)C=C2)=C1
InChIKey
InChIKey=LERCUMWKJSEVRK-UHFFFAOYSA-N
Formula
C24H19Cl2N3O4S2
Mass
548.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Dichlorobenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Organosulfonic acid esters Aryl chlorides Sulfonyls Heteroaromatic compounds Hydrazones Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Thiazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - 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