Compound Identification
SMILES
CC1=CC(Cl)=C(C=C1OCC(N)=O)S(=O)(=O)NCCC([O-])=O
InChIKey
InChIKey=ZEQWEFNRJYJTDB-UHFFFAOYSA-M
Formula
C12H14ClN2O6S
Mass
349.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
-
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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Primary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organochlorides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Toluene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available