Compound Identification
SMILES
COC(=O)C1=CC(C2NCCC2C=C)=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=VQRDGPODCFYVPC-UHFFFAOYSA-N
Formula
C21H24N2O4S
Mass
400.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
P-toluenesulfonamides Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Aralkylamines Organosulfonamides Pyrroles Aminosulfonyl compounds Methyl esters Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-toluenesulfonamide - 2-phenylpyrrolidine - Benzenesulfonamide - Benzoate ester - Tosyl compound - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Methyl ester - Pyrrole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Amino acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Secondary amine - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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