Compound Identification
SMILES
COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)NC(C)C)=N2)C=CC(=C1)N1CCC(C1)N(C)C(C)=O
InChIKey
InChIKey=QTUCYUUFLOXXGK-UHFFFAOYSA-N
Formula
C27H34ClN7O4S
Mass
588.12
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
Benzenesulfonamides Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Organosulfonamides Aryl chlorides Imidolactams Heteroaromatic compounds Pyrroles Aminosulfonyl compounds Acetamides Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Secondary amines Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Halopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Aryl chloride - Pyrimidine - Aryl halide - Organosulfonic acid amide - Benzenoid - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Acetamide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organochloride - Organohalogen 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