Compound Identification
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)OC1=C(\C=N/NC2=NC(=O)[C@@H](CC)S2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=RLLLZYDWUOJFCA-OOEUXUOGSA-N
Formula
C24H23N3O5S2
Mass
497.58
Taxonomic Classification
Taxonomy Tree
-
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
Naphthalenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Thiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Organosulfonic acid ester - Meta-thiazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - N-acylimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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