C18 H21 N3 O4 S
5XD
4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimi...Show more
Formula
Standard InChI
InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3
Standard InChI Key
XTMAUXGMXOOESO-UHFFFAOYSA-N
SMILES
CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)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.
Displayed: 1 / 2