Compound Identification
SMILES
CC(C)CN(C[C@@H](N)[C@@H](N)CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BTQJQLLCUWDQRK-VQTJNVASSA-N
Formula
C20H28N4O4S
Mass
420.53
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
Benzenesulfonamides Amphetamines and derivatives Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Aralkylamines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aralkylamine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Primary aliphatic amine - Organic cation - 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