Compound Identification
SMILES
COC1=C(OC(=O)C2CCCCN2S(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(C=C(C#N)C#N)=C1
InChIKey
InChIKey=DWDFNJKTLIWVBE-UHFFFAOYSA-N
Formula
C23H20ClN3O5S
Mass
485.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Benzenesulfonamides Phenol esters Piperidinecarboxylic acids Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organosulfonamides Sulfonyls Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenol ester - Benzenesulfonamide - Piperidinecarboxylic acid - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Benzenoid - Organosulfonic acid amide - Piperidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available