Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1ccccc1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(O)cc5O |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23 |
SMILES | CACTVS | 3.370 | Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31) |
InChIKey | InChI | 1.03 | VUQDPFXQYOUHGL-UHFFFAOYSA-N |