Compound Identification
SMILES
CC(C)N(CCN1CCN(CC1)S(=O)(=O)C1=CC=C(CC2=CC3=C(OC(=O)C=C3C(F)(F)F)C=C2)C=C1)C(C)C
InChIKey
InChIKey=XGGNLFHDGDRFOC-UHFFFAOYSA-N
Formula
C29H36F3N3O4S
Mass
579.68
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 Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives N-alkylpiperazines Organosulfonamides Heteroaromatic compounds Sulfonyls Lactones Trialkylamines Azacyclic compounds Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzenesulfonamide - Benzopyran - Benzenesulfonyl group - N-alkylpiperazine - Pyranone - Piperazine - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Pyran - 1,4-diazinane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Lactone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Amine - 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