Compound Identification
SMILES
OC1=CC=C(CC(CN2CCCN(CC2)C(=O)OCC2=CC=CC=C2)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
InChIKey
InChIKey=PCXDDOHMHHQHSP-UHFFFAOYSA-N
Formula
C31H34N4O5S
Mass
574.7
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
Benzyloxycarbonyls Amphetamines and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1,4-diazepanes Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Carbamate esters Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Benzyloxycarbonyl - Isoquinoline - 1,4-diazepane - 1-hydroxy-2-unsubstituted benzenoid - Diazepane - Phenol - Aralkylamine - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - 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