Compound Identification
SMILES
Cl.Cl.CSC1=CC(=CC(=C1)C(F)(F)F)C(=O)N1CCN(CCN2C[C@H](C)O[C@H](C)C2)C[C@H]1CC1=CC(O)=C(Cl)C=C1
InChIKey
InChIKey=IXNBLGFEOVIYKP-LQERSSQRSA-N
Formula
C28H37Cl3F3N3O3S
Mass
659.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Benzamides Thiophenol ethers O-chlorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers N-alkylpiperazines Aralkylamines Chlorobenzenes Aryl chlorides Morpholines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - 2-chlorophenol - 2-halophenol - Aryl thioether - Thiophenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Chlorobenzene - Aryl chloride - Oxazinane - Morpholine - Piperazine - 1,4-diazinane - Aryl halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available