Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCC[C@@H](C1)C(=O)N1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1
InChIKey
InChIKey=YDVTYRHZLFXRPE-HKUYNNGSSA-O
Formula
C21H29ClN3O4S
Mass
454.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines 4-halobenzoic acids and derivatives Benzamides Piperidinecarboxamides N-alkylpiperazines Chlorobenzenes Aryl chlorides Quaternary ammonium salts Thiolanes Sulfones Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - 3-piperidinecarboxamide - Piperidinecarboxamide - Halobenzene - Chlorobenzene - N-alkylpiperazine - 1,4-diazinane - Piperidine - Aryl halide - Aryl chloride - Piperazine - Thiolane - Tertiary carboxylic acid amide - Sulfone - Quaternary ammonium salt - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors
Not available