Compound Identification
SMILES
CC1=CC=CC=C1C1NC(CO)(C2C1C(=O)N(CCS(C)(=O)=O)C2=O)C(O)=O
InChIKey
InChIKey=ZORCEIGSGRXGQL-UHFFFAOYSA-N
Formula
C18H22N2O7S
Mass
410.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Alpha amino acids Pyrrolidine carboxylic acids Toluenes Beta hydroxy acids and derivatives Aralkylamines Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Sulfones Dicarboximides Pyrroles Lactams Amino acids Carboxylic acids Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Beta-hydroxy acid - Aralkylamine - Toluene - Monocyclic benzene moiety - Hydroxy acid - Carboxylic acid imide, n-substituted - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Sulfonyl - Pyrrole - Sulfone - Amino acid or derivatives - Amino acid - Lactam - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organosulfur compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Primary alcohol - Amine - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available