Compound Identification
SMILES
C[C@@H]1CN(CC2=C(OCC(O)=O)C=CC(Cl)=C2)CCN1S(=O)(=O)CC1=CC=CC=C1
InChIKey
InChIKey=FYBIPFSMDCQHGL-MRXNPFEDSA-N
Formula
C21H25ClN2O5S
Mass
452.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Organosulfonamides Organic sulfonamides Sulfonyls Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Organosulfonic acid amide - Organic sulfonic acid amide - Piperazine - Aryl chloride - 1,4-diazinane - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available