Compound Identification
SMILES
C[C@@H]1SC(N\N=C/C2=CC=C(OS(=O)(=O)C3=CC(Cl)=C(C)C=C3)C=C2)=NC1=O
InChIKey
InChIKey=LVXHMYBWLMEFSQ-XGTDKWECSA-N
Formula
C18H16ClN3O4S2
Mass
437.91
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
p-Methylbenzenesulfonates Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Toluenes Chlorobenzenes Organosulfonic acid esters Aryl chlorides Thiazolines Sulfonyls N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Sulfonyl - N-acylimine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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