Compound Identification
SMILES
CC1=C(C=CC(=O)NC(CO)CS(=O)CC2=CC=CC=C2)C(=O)NC(=O)N1
InChIKey
InChIKey=YLMGINPOMBXUKT-UHFFFAOYSA-N
Formula
C18H21N3O5S
Mass
391.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
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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
Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Sulfoxides Secondary carboxylic acid amides Lactams Sulfinyl compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Pyrimidone - Hydropyrimidine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Sulfoxide - Urea - Carboxylic acid derivative - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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