Compound Identification
SMILES
COC1=CC=CC2=C1OC(COS(=O)(=O)C1=CC=C(C)C=C1)CN2C
InChIKey
InChIKey=BTSSFYPPEMFAGH-UHFFFAOYSA-N
Formula
C18H21NO5S
Mass
363.43
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 Benzoxazines Benzomorpholines Benzenesulfonyl compounds Arylsulfonic acids and derivatives Dialkylarylamines Anisoles Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Benzomorpholine - Benzoxazine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Anisole - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Oxazinane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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