Compound Identification
SMILES
CCCCCCCN1C=CN(C\C=C/CC2=CC=C(Cl)C=C2)[C@H]1OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=RBVYHHXUMKWHGP-JBGSEXCOSA-N
Formula
C27H35ClN2O3S
Mass
503.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Organosulfonic acid esters Sulfonyls Imidazolines Orthocarboxylic acid derivatives Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Organosulfonic acid ester - 4-imidazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Orthocarboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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