Compound Identification
SMILES
COC1=CC(OC)=C(CS(=O)C2=C(C=CC=N2)C(=O)NC2=C(C)C(=NC=C2)N(C)C)C=C1
InChIKey
InChIKey=QOLUSIFRXWNBNI-UHFFFAOYSA-N
Formula
C23H26N4O4S
Mass
454.55
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 Anisoles Dialkylarylamines Phenoxy compounds Methylpyridines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - Dimethoxybenzene - M-dimethoxybenzene - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Phenoxy compound - Dialkylarylamine - Anisole - Methoxybenzene - Phenol ether - Aminopyridine - Alkyl aryl ether - Methylpyridine - Imidolactam - Pyridine - Heteroaromatic compound - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - 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