PDB CCD ID: | 1OO |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H11 Cl F5 N3 O3 S |
InChI: | InChI=1S/C21H11ClF5N3O3S/c22-11-7-13-14(9-29-20(13)28-8-11)19(31)17-15(23)5-6-16(18(17)24)30-34(32,33)12-3-1-10(2-4-12)21(25,26)27/h1-9,30H,(H,28,29) |
InChIKey: | ZCHAHQLCHCQDFD-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | Fc1ccc(N[S](=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c3c[nH]c4ncc(Cl)cc34 | ACDLabs 12.01 | FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccc(F)c(c2F)C(=O)c4c3cc(Cl)cnc3nc4 | OpenEye OEToolkits 1.7.6 | c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F |
|
Name: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide |
ZINC: | ZINC000059675752 |