Compound Identification
SMILES
Cl.COC1=CC=C(CCC(C)NCC(O)C2=CC(=C(O)C=C2)S(C)=O)C=C1
InChIKey
InChIKey=KJSMCQZGOIBBGM-UHFFFAOYSA-N
Formula
C20H28ClNO4S
Mass
413.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl sulfoxides
Alternative Parents
Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines 1,2-aminoalcohols Sulfoxides Secondary alcohols Sulfinyl compounds Dialkylamines Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl sulfoxide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Sulfoxide - Secondary aliphatic amine - Ether - Secondary amine - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrochloride - Organic oxygen compound - Amine - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
External Descriptors
Not available