Compound Identification
SMILES
CNC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
InChIKey
InChIKey=KWIBJGUCBSHWJI-HHJUPYMQSA-N
Formula
C29H38N4O7S2
Mass
618.76
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 Benzothiazoles Furofurans Secondary alkylarylamines 2-amino-1,3-thiazoles Organosulfonamides Aminosulfonyl compounds Oxolanes Carbamate esters Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Acetals Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - Furofuran - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - 1,3-thiazol-2-amine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Oxolane - Aminosulfonyl compound - Carbamic acid ester - Thiazole - Sulfonyl - Azole - Organosulfonic acid or derivatives - Secondary alcohol - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen 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