Compound Identification
SMILES
CCC(C)NC(=O)C1=CC=C(CS(=O)CC2=CC=C(C)C=C2)O1
InChIKey
InChIKey=CESFCOSFCFUUJD-UHFFFAOYSA-N
Formula
C18H23NO3S
Mass
333.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
-
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 alkyl sulfoxides
Alternative Parents
Furoic acid and derivatives 2-heteroaryl carboxamides Toluenes Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Toluene - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Sulfinyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available