C12 H14 N2 O3 S
5WS
~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulf...Show more
Formula
Standard InChI
InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3
Standard InChI Key
LJTKZAIXTKZSBU-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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