Structure Information
Structure

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

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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 - 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

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