Compound Identification
SMILES
CCN1C(=O)SC2=C1C=CC(=C2)S(=O)(=O)N1CCN(CC1)C(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=IIGHZPWTGRFLDY-UHFFFAOYSA-N
Formula
C23H21N3O6S2
Mass
499.56
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 Benzothiazoles Pyranones and derivatives Benzenoids Piperazines Organosulfonamides Thiazoles Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - 1,3-benzothiazole - Pyranone - Organosulfonic acid amide - Benzenoid - Pyran - 1,4-diazinane - Piperazine - Azole - Thiazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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