Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c3cc(C1=NC2=C(C(=O)N1)CCC2)c(OCCC)cc3)N4CCN(C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C21H28N4O4S/c1-3-13-29-19-8-7-15(30(27,28)25-11-9-24(2)10-12-25)14-17(19)20-22-18-6-4-5-16(18)21(26)23-20/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,23,26) |
InChIKey | InChI | 1.03 | GVJMOYXLONOQAI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)[S](=O)(=O)N4CCN(C)CC4 |
SMILES | CACTVS | 3.370 | CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)[S](=O)(=O)N4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C |