Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1C(Br)C(=O)C2=CC=CC=C2C2=CC=CC=C12
InChIKey
InChIKey=IJGWIJVDRKNPSK-UHFFFAOYSA-N
Formula
C21H16BrNO3S
Mass
442.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzazepines
- Subclass Dibenzazepines
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Class
Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Dibenzazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazepines
Alternative Parents
N,N-disubstituted p-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Azepines Organosulfonamides Sulfonyls Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazepine - N,n-disubstituted p-toluenesulfonamide - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Toluene - Azepine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Alpha-haloketone - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available