Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=AOOWRLOBEGJANE-QFIPXVFZSA-N
Formula
C26H26N2O5S
Mass
478.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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 3-alkylindoles Benzyloxycarbonyls Arylsulfonic acids and derivatives Benzenesulfonyl compounds Substituted pyrroles Organosulfonic acid esters Heteroaromatic compounds Carbamate esters Sulfonyls Azacyclic compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Tosyl compound - 3-alkylindole - Arylsulfonic acid or derivatives - Indole - Benzenesulfonyl group - Indole or derivatives - Toluene - Organosulfonic acid ester - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen 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