Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCC1=CC(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)=CN=C1
InChIKey
InChIKey=SVXVRPREPKGYJK-NRFANRHFSA-N
Formula
C25H34N2O6S
Mass
490.62
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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Pyridines and derivatives Organosulfonic acid esters Sulfonyls Carbamate esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Toluene - Alkyl aryl ether - Pyridine - Organosulfonic acid ester - Organosulfonic acid or derivatives - Carbamic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Pyrrolidine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - 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