Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4CCN(c3ccncc3)CC4)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 |
SMILES | CACTVS | 3.341 | Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 |
InChI | InChI | 1.03 | InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2 |
InChIKey | InChI | 1.03 | ZLAKCKVFSRSENR-UHFFFAOYSA-N |