Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1CCCC(Br)(Br)C(=O)C2=CC=CC=C12
InChIKey
InChIKey=VLKGRULXQJUGJJ-UHFFFAOYSA-N
Formula
C18H17Br2NO3S
Mass
487.21
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Benzazocines Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Organosulfonamides Vinylogous amides Sulfonyls Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzazocine - Benzenesulfonamide - Benzenesulfonyl group - Aryl ketone - Aryl alkyl ketone - Organosulfonic acid amide - Alpha-haloketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Ketone - Organoheterocyclic compound - Azacycle - Alkyl halide - Alkyl bromide - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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