Compound Identification
SMILES
CC1=CC=C(C=C1)C1N(C2=NC=C(S2)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)C(=O)C1=C(O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=IPTYXWNFCDBMMH-UHFFFAOYSA-N
Formula
C27H18ClN3O7S2
Mass
596.03
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
Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Toluenes 2,5-disubstituted thiazoles Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Sulfones Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Toluene - 2,5-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Vinylogous acid - Sulfonyl - Sulfone - Pyrrole - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Organic nitro compound - Ketone - Lactam - C-nitro compound - Cyclic ketone - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enol - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - 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