Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1CCN(CCC2=CC=CC=C2)CC1
InChIKey
InChIKey=BKVBMFLNVSZOBP-UHFFFAOYSA-N
Formula
C24H26ClN3O3S2
Mass
504.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Phenethylamines Benzamides Benzoyl derivatives 2,5-disubstituted thiophenes Aralkylamines N-alkylpiperazines Chlorobenzenes Organosulfonamides Aryl chlorides Sulfonyls Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenethylamine - Benzoyl - Chlorobenzene - Halobenzene - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - Aryl halide - Aryl chloride - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available