Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C(Br)=C(N(C2CCCC=C2)S(=O)(=O)C2=CC=C(C)C=C2)C(C)=C1C
InChIKey
InChIKey=DBMWUZNDCORGJY-UHFFFAOYSA-N
Formula
C29H32BrNO4S
Mass
570.54
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
-
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
Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Methoxyanilines Methoxybenzenes o-Xylenes Anisoles Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonamides Aminosulfonyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - O-xylene - Xylene - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Organosulfonic acid amide - Aryl bromide - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Ether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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