Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCSC1=NC2=CC=CC=C2N1CC1=CC=CC=C1
InChIKey
InChIKey=SYRLDYGDTYRZQR-UHFFFAOYSA-N
Formula
C23H22N2O3S2
Mass
438.56
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
-
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 Benzimidazoles Alkylarylthioethers Organosulfonic acid esters N-substituted imidazoles Heteroaromatic compounds Sulfonyls Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - Aryl thioether - Toluene - Alkylarylthioether - Organosulfonic acid ester - N-substituted imidazole - Organosulfonic acid or derivatives - Imidazole - Azole - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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