Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C1(NC2=C(O1)C=CC(=C2)S(N)(=O)=O)S(O)(=O)=O

InChIKey

InChIKey=HAWOYHHDVYZZGS-UHFFFAOYSA-N

Formula

C20H21N3O8S2

Mass

495.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Benzoxazoline - Dialkylarylamine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Aminosulfonyl compound - Alkanesulfonic acid - Tertiary amine - Lactone - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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