Compound Identification
SMILES
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N2CCCC2)=C1
InChIKey
InChIKey=VTJYVLXRVUGMLF-UHFFFAOYSA-N
Formula
C23H27N3O6S2
Mass
505.6
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzenesulfonamides Benzoic acid esters Anilides Benzenesulfonyl compounds Thiophenol ethers N-arylamides N-acylpyrrolidines Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Benzenesulfonyl group - Aryl thioether - Benzoyl - N-acylpyrrolidine - Thiophenol ether - N-arylamide - Alkylarylthioether - Vinylogous thioester - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available