Compound Identification
SMILES
CC(C)N1CCC(CC1)OC1=CC2=C(CN(CC2)C(=O)C2=CC=CC=C2Cl)S1
InChIKey
InChIKey=XHGMTVVJVZLSCD-UHFFFAOYSA-N
Formula
C22H27ClN2O2S
Mass
418.98
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
2-halobenzoic acids and derivatives
Alternative Parents
Thienopyridines Benzamides 2,3,5-trisubstituted thiophenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Piperidines Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Heteroaromatic compound - Vinylogous halide - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available