Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CN=C2[C@@H](O)c3cc(ccc3N2C1)[S](=O)(=O)N4CCC[C@H]4COc5ccccc5 |
SMILES | CACTVS | 3.341 | CC1(C)CN=C2[CH](O)c3cc(ccc3N2C1)[S](=O)(=O)N4CCC[CH]4COc5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CN=C2C(c3cc(ccc3N2C1)S(=O)(=O)N4CCCC4COc5ccccc5)O)C |
InChI | InChI | 1.03 | InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1 |
InChIKey | InChI | 1.03 | RPXBZVLBDLIKLZ-JTSKRJEESA-N |