Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N\N=C\C1=CC=C(OCC(=O)NCC2=CC=CO2)C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JQKJJYKZKUFCAV-VTNSRFBWSA-N
Formula
C29H27BrN4O6S
Mass
639.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds - P-toluenesulfonamides
Direct Parent
N,N-disubstituted p-toluenesulfonamides
Alternative Parents
Sulfanilides Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Sulfanilide - Benzenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Organosulfonic acid amide - Aryl bromide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors
Not available