Compound Identification
SMILES
COC1=CC=CC=C1SC1=C(C=CC(=C1)[C@@H]1CN(C(=O)C1)C1=CC=C(C=C1)S(C)(=O)=O)C#N
InChIKey
InChIKey=CFJJBVOTAHFYOO-IBGZPJMESA-N
Formula
C25H22N2O4S2
Mass
478.58
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
Diarylthioethers Benzenesulfonyl compounds Anisoles Thiophenol ethers Benzonitriles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Sulfones Amino acids and derivatives Lactams Tertiary amines Nitriles Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - 3-phenylpyrrolidine - Diarylthioether - Benzenesulfonyl group - Phenoxy compound - Aryl thioether - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Sulfonyl - Sulfone - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur 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