Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35) |
InChIKey | InChI | 1.03 | PBOKXQRUWSFTHG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C |