Compound Identification
SMILES
COC(CCS(=O)(=O)C1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CNCC1=CC(OC)=CC=C1
InChIKey
InChIKey=KESVWUTWORAQOK-MDEZFMAYSA-N
Formula
C29H36N2O6S
Mass
540.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Amphetamines and derivatives Benzenesulfonyl compounds Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aralkylamines N-acyl amines Monosaccharides Sulfones Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Dialkylamines Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonyl group - Benzylamine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Sulfonyl - Sulfone - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available