Compound Identification
SMILES
OC(=O)CCC\C=C/[C@H]1[C@@H]2CC[C@@H](CC2)[C@@H]1CNS(=O)(=O)C1=C(Cl)C=C(Br)C=C1
InChIKey
InChIKey=AYIPMFJXDBQOFD-XTAAOWHCSA-N
Formula
C21H27BrClNO4S
Mass
504.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonamides
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Medium-chain fatty acids Bromobenzenes Halogenated fatty acids Chlorobenzenes Unsaturated fatty acids Organosulfonamides Aryl bromides Aryl chlorides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Medium-chain fatty acid - Halogenated fatty acid - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl bromide - Fatty acyl - Fatty acid - Unsaturated fatty acid - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors
Not available