| PDB CCD ID: | Q5K |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H16 F N3 O4 S |
| InChI: | InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1 |
| InChIKey: | BPPBVZDPZTYCEJ-SFHVURJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)NC(=O)C(c2cccnc2)O)NS(=O)(=O)c3ccc(cc3)F | | ACDLabs 12.01 | OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1 | | CACTVS 3.385 | O[CH](C(=O)Nc1ccccc1N[S](=O)(=O)c2ccc(F)cc2)c3cccnc3 | | CACTVS 3.385 | O[C@H](C(=O)Nc1ccccc1N[S](=O)(=O)c2ccc(F)cc2)c3cccnc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)NC(=O)[C@H](c2cccnc2)O)NS(=O)(=O)c3ccc(cc3)F |
|
| Name: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide |
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