Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4 |
SMILES | CACTVS | 3.352 | Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O |
InChI | InChI | 1.03 | InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23) |
InChIKey | InChI | 1.03 | ULFLIVGUMGQSSF-UHFFFAOYSA-N |