Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=C(NC(=O)CN2CC(CC2=O)C2=CC=CC=C2)C=CS1
InChIKey
InChIKey=CDNCCHKPJSQCRI-UHFFFAOYSA-N
Formula
C21H18N4O6S
Mass
454.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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 and derivatives Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids N-arylamides Hydroxypyrimidines Pyrimidones Benzene and substituted derivatives N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Thiophenes Vinylogous acids Heteroaromatic compounds Vinylogous amides Pyrroles Lactams Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid or derivatives - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - N-arylamide - Hydroxypyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Vinylogous acid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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