PDB CCD ID: | 7KK |
Number of entries in BioLiP: | 2 |
Chemical formula: | C21 H11 Br Cl2 F2 N2 O3 S |
InChI: | InChI=1S/C21H11BrCl2F2N2O3S/c22-14-8-18(26)20(9-17(14)25)32(29,30)28-12-6-15(23)21(16(24)7-12)31-13-5-11-3-1-2-4-19(11)27-10-13/h1-10,28H |
InChIKey: | IMNDKCZZKHFDEJ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl | CACTVS 3.385 | Fc1cc(c(F)cc1Br)[S](=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2 | ACDLabs 12.01 | c2(c(c(cc(NS(c1c(cc(c(c1)F)Br)F)(=O)=O)c2)Cl)Oc4cc3ccccc3nc4)Cl |
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Name: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide |
ChEMBL: | CHEMBL4090529 |