Compound Identification
SMILES
CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC2=CN=CC(Br)=C12
InChIKey
InChIKey=YZLIHSGHMHEJBI-UHFFFAOYSA-N
Formula
C20H26BrN3O4S
Mass
484.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
1,4-diazepanes Pyridines and derivatives Organosulfonamides Benzenoids Aryl bromides Sulfonyls Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 1,4-diazepane - Diazepane - Aryl bromide - Aryl halide - Pyridine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbamic acid ester - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available