Compound Identification
SMILES
COCC(Br)C1=C(C(NS(=O)(=O)C2=CC=C(C)C=C2)C2=CC=CC=C2Cl)N(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=DXSORAMGYNSXOF-UHFFFAOYSA-N
Formula
C31H28BrClN2O5S2
Mass
688.05
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Direct Parent
P-toluenesulfonamides
Alternative Parents
3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Substituted pyrroles Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Organobromides Organochlorides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-toluenesulfonamide - 3-alkylindole - Benzenesulfonamide - Indole or derivatives - Indole - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid amide - Substituted pyrrole - Aryl halide - Heteroaromatic compound - Pyrrole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors
Not available