Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(C(NCC1=CC=CC=N1)C1=CC=C(Br)C=C1)C(O)=O)CC1=CC=CC=N1
InChIKey
InChIKey=HTRGKVOJIIYXQM-UHFFFAOYSA-N
Formula
C29H29BrN4O4S
Mass
609.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
-
Level 5
Tosyl compounds
-
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
Phenylpropanoic acids Beta amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds 2-pyridylmethylamines Aralkylamines Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Benzenesulfonyl group - 2-pyridylmethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Organosulfonic acid amide - Aryl bromide - Pyridine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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