| PDB CCD ID: | O9D |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H17 F N2 O4 S |
| InChI: | InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20) |
| InChIKey: | JKKRGQGRKITOSW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C | | CACTVS 3.385 | CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 | | OpenEye OEToolkits 2.0.7 | CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
|
| Name: | 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide |
| ChEMBL: | CHEMBL4443232 |
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