Compound Identification
SMILES
CS(=O)(=O)OC1=CC=C(CN(CC2CCCO2)C(=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=MWZUPFUYGOXDRE-UHFFFAOYSA-N
Formula
C20H22FNO5S
Mass
407.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenoxy compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Sulfonic acid esters Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Oxolanes Methanesulfonates Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Sulfonic acid ester - Organosulfonic acid ester - Aryl halide - Oxolane - Organosulfonic acid or derivatives - Methanesulfonate - Sulfonyl - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available