Compound Identification
SMILES
BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
InChIKey
InChIKey=ZKZXNDJNWUTGDK-NSCUHMNNSA-N
Formula
C20H20BrN3O2S
Mass
446.36
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
Styrenes Bromobenzenes Pyridines and derivatives Organosulfonamides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - 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