Compound Identification
SMILES
CCCCN1C(=O)NC(C2=CC=CC=C2OS(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)OCC2=CC=CC=C2)=C1C
InChIKey
InChIKey=YNKVPCZTCRGDEI-UHFFFAOYSA-N
Formula
C30H32N2O6S
Mass
548.65
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 Tosyl compounds Benzyloxycarbonyls Arylsulfonic acids and derivatives Hydropyrimidine carboxylic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Pyrimidones Organosulfonic acid esters Vinylogous amides Sulfonyls Enoate esters Ureas Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Tosyl compound - Arylsulfonic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Benzenesulfonyl group - Phenoxy compound - Pyrimidone - Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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