PDB CCD ID: | 2G1 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H13 F3 N2 O2 S2 |
InChI: | InChI=1S/C13H13F3N2O2S2/c1-9-18-12(8-21-9)10-2-4-11(5-3-10)22(19,20)17-7-6-13(14,15)16/h2-5,8,17H,6-7H2,1H3 |
InChIKey: | IQNRYHOPUGEBMI-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | FC(F)(F)CCNS(=O)(=O)c2ccc(c1nc(sc1)C)cc2 | OpenEye OEToolkits 1.7.6 | Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F | CACTVS 3.385 | Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F |
|
Name: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide |
ChEMBL: | CHEMBL3286505 |
ZINC: | ZINC000098208161 |