Compound Identification
SMILES
CCC1=CC(NC(=O)CN2C(=O)OC3=C2C=CC(=C3)S(=O)(=O)N2CCOCC2)=CC=C1
InChIKey
InChIKey=JKTVNHPBDYOGJX-UHFFFAOYSA-N
Formula
C21H23N3O6S
Mass
445.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazoles
- Subclass Benzoxazolones
-
Class
Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
Anilides N-arylamides Organosulfonamides Morpholines Sulfonyls Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazolone - Anilide - N-arylamide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Oxazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available