Compound Identification
SMILES
CN1CCC(CC1)C1=CN(CCC2=CC=CC=C2)C2=C1C=C(OS(=O)(=O)C1=CC=CC=C1)C=C2
InChIKey
InChIKey=RFRIGUZAMXUASE-UHFFFAOYSA-N
Formula
C28H30N2O3S
Mass
474.62
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
N-alkylindoles 3-alkylindoles Benzenesulfonyl compounds Arylsulfonic acids and derivatives Aralkylamines Substituted pyrroles Piperidines Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - N-alkylindole - 3-alkylindole - Arylsulfonic acid or derivatives - Indole - Indole or derivatives - Benzenesulfonyl group - Aralkylamine - Piperidine - Substituted pyrrole - Organosulfonic acid ester - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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