Compound Identification
SMILES
COC1=CC(OC)=C(CS(=O)C2=C(C=CC=N2)C(=O)NC2=CC(=NC=C2)N(C)CCO)C=C1
InChIKey
InChIKey=YSRNLWGOMUHUSQ-UHFFFAOYSA-N
Formula
C23H26N4O5S
Mass
470.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl sulfoxides
Alternative Parents
Dimethoxybenzenes Nicotinamides Phenoxy compounds Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Alkanolamines Sulfinyl compounds Azacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - M-dimethoxybenzene - Dimethoxybenzene - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Alkanolamine - Organoheterocyclic compound - Azacycle - Sulfinyl compound - Carboxylic acid derivative - Ether - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available