Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nccs1)C(N2C(=O)CN(S(=O)(=O)C)CC2)CC3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | MCVZXAIMSDHSPP-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[S](=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc3sccn3)C(=O)C1 |
SMILES | CACTVS | 3.370 | C[S](=O)(=O)N1CCN([CH](CC2CCCCC2)C(=O)Nc3sccn3)C(=O)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)N1CCN(C(=O)C1)C(CC2CCCCC2)C(=O)Nc3nccs3 |