Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)[C@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3SC3=C(SC(=O)N3)[C@@H]4C3=CC(OC)=C(OCC(=O)NC4=CC=C(C=C4)S(N)(=O)=O)C=C3)[C@@H]2C1=O
InChIKey
InChIKey=ATGHUGUQONEXRL-LTZRBLDYSA-N
Formula
C35H32N4O9S3
Mass
748.84
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
Aromatic monoterpenoids Benzenesulfonamides Isoindolones Anilides Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds N-arylamides Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Thiopyrans Pyrrolidine-2-ones Organosulfonamides N-substituted carboxylic acid imides Dicarboximides Aminosulfonyl compounds Pyrroles Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Aromatic monoterpenoid - Benzenesulfonamide - Isoindolone - Monoterpenoid - Norbornane monoterpenoid - Isoindoline - Isoindole or derivatives - Anilide - Methoxyaniline - Benzenesulfonyl group - Methoxybenzene - N-arylamide - Phenoxy compound - Anisole - Aryl thioether - Phenol ether - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiopyran - Organosulfonic acid amide - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Heteroaromatic compound - Azole - Aminosulfonyl compound - Carboxylic acid imide - Dicarboximide - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Lactam - Carboxamide group - Secondary carboxylic acid amide - Thioether - Ether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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