PDB CCD ID: | 5DT |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H19 F3 N2 O2 S2 |
InChI: | InChI=1S/C21H19F3N2O2S2/c22-16-17(23)21(30(25,27)28)19(26-13-15-9-5-2-6-10-15)18(24)20(16)29-12-11-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H2,25,27,28) |
InChIKey: | WZQASQFQJUZSSE-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | N[S](=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NCc3ccccc3 | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F | ACDLabs 12.01 | Fc1c(c(c(c(c1NCc2ccccc2)S(=O)(=O)N)F)F)SCCc3ccccc3 |
|
Name: | 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide |
ZINC: | ZINC000208994812 |