Compound Identification
SMILES
C=CCN1C(C(=O)C2=CC=CC=C2)=C(OC(=O)C2=CC=C(CN3CCCCC3)C=C2)C2=CC=CC=C2S1(=O)=O
InChIKey
InChIKey=CCAGCFOQAFQXHA-UHFFFAOYSA-N
Formula
C31H30N2O5S
Mass
542.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
-
Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
-
Subclass
Benzylpiperidines
-
Class
Piperidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Benzothiazines Benzoic acid esters Phenylmethylamines Benzylamines Benzoyl derivatives Aryl ketones Aralkylamines Organosulfonamides 1,2-thiazines Enol esters Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylpiperidine - Benzoate ester - Benzothiazine - Benzoic acid or derivatives - Aryl ketone - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Ortho-thiazine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Enol ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available