Compound Identification
SMILES
OC(=O)C1=C(NC(=O)C2=CC=C(C=C2)S(=O)(=O)N2CC3CCC2CC3)C=CC(Br)=C1
InChIKey
InChIKey=KTDPNWUTJRIBEI-UHFFFAOYSA-N
Formula
C21H21BrN2O5S
Mass
493.37
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
Anilides
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Level 5
Aromatic anilides
- Level 6 Benzanilides
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Level 5
Aromatic anilides
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Subclass
Anilides
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
3-halobenzoic acids Benzenesulfonamides Halobenzoic acids Benzamides Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Bromobenzenes Aryl bromides Organosulfonamides Piperidines Sulfonyls Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzanilide - Benzenesulfonamide - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors
Not available