Compound Identification
SMILES
OC(=O)C(O)=O.O=S(CCCN1CCC(=CC1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=RHLJXCKISFAKIY-UHFFFAOYSA-N
Formula
C22H25NO5S
Mass
415.5
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
Hydropyridines Dicarboxylic acids and derivatives Trialkylamines Sulfoxides Sulfinyl compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenyl sulfoxide - Hydropyridine - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic 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