Compound Identification
SMILES
ClC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1C(=O)OCN1C(=O)C(=C(C#N)C#N)C2=CC=CC=C12
InChIKey
InChIKey=MRJMTHLCAKLZQV-UHFFFAOYSA-N
Formula
C24H19ClN4O5S
Mass
510.95
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
-
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 Piperidinecarboxylic acids Indoles and derivatives Benzenesulfonyl compounds Chlorobenzenes Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Lactams Carboxylic acid esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Indole or derivatives - Piperidinecarboxylic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Piperidine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organosulfur compound - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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