Compound Identification
SMILES
COC1=CC=C(C=C1)N1CCN(CC1)C(=O)CN(C1=CC(Br)=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=GVZCYTFDIDROAG-UHFFFAOYSA-N
Formula
C26H28BrN3O4S
Mass
558.49
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
Phenylpiperazines N-arylpiperazines Sulfanilides Alpha amino acids and derivatives Benzenesulfonamides Aminophenyl ethers Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Bromobenzenes Organosulfonamides Aryl bromides Tertiary carboxylic acid amides Aminosulfonyl compounds Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - 1,4-diazinane - Aryl halide - Piperazine - Aryl bromide - Organosulfonic acid amide - Aminosulfonyl compound - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Tertiary amine - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - 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