Compound Identification
SMILES
NCCN(CCCC1=CC=CC(=C1)C(O)=O)S(=O)(=O)C1=CC=CC2=C1C=CN=C2
InChIKey
InChIKey=FLBMODXYQKWWAH-UHFFFAOYSA-N
Formula
C21H23N3O4S
Mass
413.49
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
Benzoic acids Benzoyl derivatives Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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