Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1C(C(=O)C2=CC=CS2)C(=O)C(=O)N1CCN1CCOCC1
InChIKey
InChIKey=GIVJSURLNAIPHJ-UHFFFAOYSA-N
Formula
C21H21N3O6S
Mass
443.47
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
Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Beta-diketones Morpholines Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Amino acids and derivatives Lactams Trialkylamines Cyclic ketones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - 1,3-diketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Thiophene - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Ketone - Lactam - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic salt - 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