Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)\C=C\S(=O)(=O)N2CC(=O)N(CC2)CC4CCN(c3ccncc3)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(cc1)\C=C\[S](=O)(=O)N2CCN(CC3CCN(CC3)c4ccncc4)C(=O)C2 |
SMILES | CACTVS | 3.341 | Clc1ccc(cc1)C=C[S](=O)(=O)N2CCN(CC3CCN(CC3)c4ccncc4)C(=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=CS(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+ |
InChIKey | InChI | 1.03 | QLHUDNKWOSQSMK-CXUHLZMHSA-N |