Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)C(C#N)=C(C)N)=C(C=C1)N1CCCC1
InChIKey
InChIKey=HEEMMCXLQYBEQK-UHFFFAOYSA-N
Formula
C21H28N4O5S
Mass
448.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzoic acid esters Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Alpha-branched alpha,beta-unsaturated ketones Organosulfonamides Vinylogous amides Pyrroles Enones Aminosulfonyl compounds Acryloyl compounds Ketones Amino acids and derivatives Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzenesulfonamide - 1-phenylpyrrolidine - Benzoate ester - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Alpha,beta-unsaturated ketone - Aminosulfonyl compound - Acryloyl-group - Enone - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Ketone - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Enamine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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