Compound Identification
SMILES
CCN(CC)C\C=C\C1=C(C=CC(F)=C1)S(=O)(=O)NC1=C(C(O)=O)C2=C(C=C1)C1(C)CC1CO2
InChIKey
InChIKey=UUNFSQNJJFGUEO-VOTSOKGWSA-N
Formula
C25H29FN2O5S
Mass
488.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Sulfanilides 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Styrenes Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides Vinylogous amides Aminosulfonyl compounds Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Benzenesulfonamide - Chromane - Benzopyran - Sulfanilide - 1-benzopyran - Benzenesulfonyl group - Styrene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl fluoride - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available