Compound Identification
SMILES
COC(=O)[C@@]12CC(=O)CC[C@@]1(N(CCS(=O)C1=CC=CC=C1)C(=O)[C@@H]2OS(C)(=O)=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=KARORIHHEBHPQF-ZIHJIREZSA-N
Formula
C27H31NO10S2
Mass
593.66
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
Dimethoxybenzenes Indoles and derivatives Phenyl sulfoxides Anisoles Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Sulfonic acid esters Pyrrolidine-2-ones N-alkylpyrrolidines Organosulfonic acid esters Pyrroles Tertiary carboxylic acid amides Methanesulfonates Methyl esters Sulfonyls Lactams Sulfoxides Cyclic ketones Azacyclic compounds Monocarboxylic acids and derivatives Sulfinyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Indole or derivatives - Phenyl sulfoxide - Anisole - Pyrrolidine carboxylic acid - Methoxybenzene - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Pyrrole - Tertiary carboxylic acid amide - Methyl ester - Methanesulfonate - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Cyclic ketone - Sulfoxide - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Sulfinyl compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen 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