Compound Identification
SMILES
NC1=CC=C(NCC(=O)C(CC(S)=O)C(O)=O)C=C1
InChIKey
InChIKey=ASPUAQSCPMQOIY-UHFFFAOYSA-N
Formula
C12H14N2O4S
Mass
282.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Amines
-
Level 5
Aralkylamines
- Level 6 Phenylalkylamines
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Level 5
Aralkylamines
-
Subclass
Amines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Aralkylamines
Direct Parent
Phenylalkylamines
Alternative Parents
Aniline and substituted anilines Thia fatty acids Secondary alkylarylamines Amino fatty acids Beta-keto acids and derivatives 1,3-dicarbonyl compounds Primary aromatic amines Beta-hydroxy ketones Alpha-amino ketones Amino acids Carbodithioic acids Carbothioic S-acids Monocarboxylic acids and derivatives Thiocarboxylic acids and derivatives Carboxylic acids Alkylthiols Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Phenylalkylamine - Amino fatty acid - Beta-keto acid - Secondary aliphatic/aromatic amine - Thia fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Keto acid - Primary aromatic amine - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Alpha-aminoketone - Amino acid - Carbodithioic acid - Carbothioic s-acid - Ketone - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Secondary amine - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Aldehyde - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
External Descriptors
Not available