Compound Identification
SMILES
CN1CCN=C1SC(C)(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=LLFGZUYJKTXPOY-UHFFFAOYSA-N
Formula
C21H24BrN3O5S2
Mass
542.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Diphenylethers
- Level 5 Bromodiphenyl ethers
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Subclass
Diphenylethers
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Bromodiphenyl ethers
Alternative Parents
Valine and derivatives Diarylethers Benzenesulfonamides Benzenesulfonyl compounds Imidazolyl carboxylic acids and derivatives Phenol ethers Phenoxy compounds Thia fatty acids Bromobenzenes Aryl bromides Organosulfonamides Aminosulfonyl compounds Imidazolines Isothioureas Azacyclic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromodiphenyl ether - Valine or derivatives - Diaryl ether - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Imidazolyl carboxylic acid derivative - Phenol ether - Bromobenzene - Halobenzene - Thia fatty acid - Aryl halide - Fatty acyl - Aryl bromide - Organosulfonic acid amide - 2-imidazoline - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isothiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
External Descriptors
Not available