Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)\C=C\S(=O)(=O)N4CCN(CC3CCN(c2ccncc2)CC3)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(cc1)\C=C\[S](=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4 |
SMILES | CACTVS | 3.341 | Clc1ccc(cc1)C=C[S](=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=CS(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+ |
InChIKey | InChI | 1.03 | ZOSSOFIFNGGDKG-GIJQJNRQSA-N |