Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c2ccc(OCC#CCN)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)SCCN([C@H]1C(=O)NO)[S](=O)(=O)c2ccc(OCC#CCN)cc2 |
SMILES | CACTVS | 3.341 | CC1(C)SCCN([CH]1C(=O)NO)[S](=O)(=O)c2ccc(OCC#CCN)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C |
InChI | InChI | 1.03 | InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | AANXPIMDONQTQF-HNNXBMFYSA-N |