Compound Identification
SMILES
COC1=C(C)C2=C(C=C1)C(CCN1CCC(COS(=O)(=O)C3=CC=C(C)C=C3)C1)=CC=C2
InChIKey
InChIKey=JINJWBBJRIFUEU-UHFFFAOYSA-N
Formula
C26H31NO4S
Mass
453.6
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 Naphthalenes Phenethylamines Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Alkyl aryl ethers Aralkylamines Organosulfonic acid esters N-alkylpyrrolidines Sulfonyls Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Naphthalene - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenethylamine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Toluene - N-alkylpyrrolidine - Organosulfonic acid ester - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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