C16 H19 N3 O3 S2
E2I
4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamid...Show more
Formula
Standard InChI
InChI=1S/C16H19N3O3S2/c1-2-3-4-12-9-18-16(19-10-12)23-11-15(20)13-5-7-14(8-6-13)24(17,21)22/h5-10H,2-4,11H2,1H3,(H2,17,2...Show more
Standard InChI Key
CLDNCMHZQXFDJO-UHFFFAOYSA-N
SMILES
CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N
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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