Compound Identification
SMILES
ClC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1N1C(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@@H]2C1=O
InChIKey
InChIKey=OLEKGDMNLXAXMY-ATNYCFDYSA-N
Formula
C21H16ClNO5S
Mass
429.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Benzenesulfonate esters Isoindolones Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Chlorobenzenes Pyrrolidine-2-ones Organosulfonic acid esters Aryl chlorides N-substituted carboxylic acid imides Sulfonyls Pyrroles Dicarboximides Lactams Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Benzenesulfonate ester - Isoindolone - Benzenesulfonate - Isoindole or derivatives - Isoindoline - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Organosulfonic acid ester - Aryl chloride - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Monocyclic benzene moiety - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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