Compound Identification
SMILES
COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)[C@@H]2CC[C@H](C3=CC4=C(C=CN=C4)C=C3)[C@@]2(C)CC1
InChIKey
InChIKey=MSBVBVPULUAQAX-LVCYWYKZSA-N
Formula
C22H22F3NO5S
Mass
469.48
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
Trifluoromethanesulfonates Benzenoids Organosulfonic acid esters Sulfonic acid esters Pyridines and derivatives Enoate esters Heteroaromatic compounds Methanesulfonates Methyl esters Sulfonyls Trihalomethanes Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Trifluoromethanesulfonate - Pyridine - Sulfonic acid ester - Benzenoid - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Trihalomethane - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Halomethane - Hydrocarbon derivative - 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