Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1c(n(nc1C)C)C)c2ccc(nc2)NCCN3CCN(C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C18H29N7O2S/c1-14-18(15(2)24(4)21-14)22-28(26,27)16-5-6-17(20-13-16)19-7-8-25-11-9-23(3)10-12-25/h5-6,13,22H,7-12H2,1-4H3,(H,19,20) |
InChIKey | InChI | 1.03 | RLKMGPCSKXTKNK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CCNc2ccc(cn2)[S](=O)(=O)Nc3c(C)nn(C)c3C)CC1 |
SMILES | CACTVS | 3.385 | CN1CCN(CCNc2ccc(cn2)[S](=O)(=O)Nc3c(C)nn(C)c3C)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C |