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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
1-benzopyrans Benzoxazolines Dialkylarylamines Secondary alkylarylamines Pyranones and derivatives Benzenoids Organosulfonamides Heteroaromatic compounds Alkanesulfonic acids Organosulfonic acids Aminosulfonyl compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
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