Compound Identification
SMILES
COC1=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=SLWLKBJGEQZVNN-UHFFFAOYSA-N
Formula
C23H17Cl2N3O4S2
Mass
534.43
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Organosulfonic acid esters Aryl chlorides Sulfonyls Heteroaromatic compounds Hydrazones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Hydrazone - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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