Compound Identification
SMILES
CC(C)C1=CC=CC(CN[C@H]2CS(=O)(=O)C[C@@H](CC3=CC=CC=C3)[C@@H]2O)=C1
InChIKey
InChIKey=LCGDGEISYQZCHX-FSSWDIPSSA-N
Formula
C22H29NO3S
Mass
387.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenylmethylamines Benzylamines Aralkylamines Thianes Sulfones Secondary alcohols 1,2-aminoalcohols Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Benzylamine - Phenylmethylamine - Aralkylamine - Thiane - Sulfone - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available