Compound Identification
SMILES
CSC1=CC=C(C=C1)C(N1CCC(CC1)C(O)=O)C1=CC=C(Br)S1
InChIKey
InChIKey=LFIOMLNHXHUOGE-UHFFFAOYSA-N
Formula
C18H20BrNO2S2
Mass
426.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
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Subclass
Piperidinecarboxylic acids and derivatives
- Level 5 Piperidinecarboxylic acids
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Subclass
Piperidinecarboxylic acids and derivatives
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Thiophenol ethers 2,5-disubstituted thiophenes Alkylarylthioethers Aralkylamines Aryl bromides Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Aryl thioether - Thiophenol ether - Aralkylamine - Alkylarylthioether - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available