Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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