Compound Identification
SMILES
C[C@H]1CN(Cc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[S@@](=O)Cc3ccccc3)c2C)C[C@@H](C)N1
InChIKey
InChIKey=KGVIPVJNRCHNOA-UHELABPCSA-N
Formula
C29H34N4O2S
Mass
502.68
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
Indolines Aralkylamines N-alkylpiperazines Substituted pyrroles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Sulfoxides Lactams Secondary carboxylic acid amides Azacyclic compounds Sulfinyl compounds Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzyl sulfoxide - Indole or derivatives - Dihydroindole - Aralkylamine - N-alkylpiperazine - Substituted pyrrole - 1,4-diazinane - Piperazine - Pyrrole - Heteroaromatic compound - Lactam - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic 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