C13 H15 Br Cl2 N2 O4 S
WIB
4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroanili...Show more
Formula
Standard InChI
InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2
Standard InChI Key
REBZZEDLLSTDTN-UHFFFAOYSA-N
SMILES
c1cc(c(cc1S(=O)(=O)C(Cl)(Cl)Br)[N+](=O)[O-])NC2CCCCC2
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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