| PDB CCD ID: | O9S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H19 F N2 O4 S |
| InChI: | InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21) |
| InChIKey: | REQXSAOLNCUPGK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O | | CACTVS 3.385 | CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 | | OpenEye OEToolkits 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C |
|
| Name: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide |
| ChEMBL: | CHEMBL4513861 |
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