Compound Identification
SMILES
CCNC1CCN(C1)C1=CC(OCC)=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)C=C1
InChIKey
InChIKey=NBBQPPLEIXHRJJ-UHFFFAOYSA-N
Formula
C27H35ClN6O3S
Mass
559.13
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
Aminophenyl ethers Benzenesulfonyl compounds Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams Pyrroles Sulfones Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aminophenyl ether - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Imidolactam - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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