| PDB CCD ID: | XPF |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C18 H20 N2 O4 S2 |
| InChI: | InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey: | TTYKUKSFWHEBLI-DLBZAZTESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(C)S(=O)(=O)NC1COCC1Oc2ccc(cc2)c3ccc(s3)C#N | | CACTVS 3.385 | CC(C)[S](=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3sc(cc3)C#N | | ACDLabs 12.01 | O=S(=O)(NC3COCC3Oc2ccc(c1sc(C#N)cc1)cc2)C(C)C | | OpenEye OEToolkits 1.9.2 | CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N | | CACTVS 3.385 | CC(C)[S](=O)(=O)N[CH]1COC[CH]1Oc2ccc(cc2)c3sc(cc3)C#N |
|
| Name: | N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide |
| ChEMBL: | CHEMBL5095022 |
| DrugBank: | DB11843 |
| ZINC: | ZINC000072316201 |
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