PDB CCD ID: | N2F |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H9 N O5 S |
InChI: | InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3 |
InChIKey: | GAUHIPWCDXOLCZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-] | ACDLabs 12.01 | O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(cc2)C | CACTVS 3.385 | Cc1ccc(cc1)[S](=O)(=O)c2oc(cc2)[N+]([O-])=O |
|
Name: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran; NSC697923 |
ChEMBL: | CHEMBL1698008 |
ZINC: | ZINC000001860216 |