5P2
Summary
| Name: | 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide |
| Synonyms: | GX-936 |
| Formula: | C24 H20 F3 N7 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 575.586 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H20F3N7O3S2/c1-2-33-12-17(13-33)34-20(7-8-30-34)19-10-16(24(25,26)27)3-5-22(19)37-21-6-4-18(9-15(21)11-28)39(35,36)32-23-29-14-31-38-23/h3-10,14,17H,2,12-13H2,1H3,(H,29,31,32) |
| InChIKey | InChI | 1.03 | UCAVSLIXTXZSRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F |
