Compound Identification
SMILES
CC(C)(CCCCCNS(=O)(=O)C1=CC=CC=C1)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=OTKUXXPACBMCAD-TXNICTPDSA-N
Formula
C39H51N3O11S2
Mass
801.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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 Benzenesulfonamides Benzenesulfonyl compounds Benzodioxoles Furofurans Organosulfonamides Tetrahydrofurans Aminosulfonyl compounds Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzodioxole - Benzenesulfonyl group - Furofuran - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tetrahydrofuran - Carbamic acid ester - Aminosulfonyl compound - Secondary alcohol - Carbonic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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