Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc(cc1)CC)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nc(OC)nc(OC)c3)CC4 |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1ccc(cc1)[S](=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(OC)cc3)c4cc(OC)nc(OC)n4 |
SMILES | CACTVS | 3.370 | CCc1ccc(cc1)[S](=O)(=O)N2CCN(C[CH]2C(=O)NCc3ccc(OC)cc3)c4cc(OC)nc(OC)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C27H33N5O6S/c1-5-19-8-12-22(13-9-19)39(34,35)32-15-14-31(24-16-25(37-3)30-27(29-24)38-4)18-23(32)26(33)28-17-20-6-10-21(36-2)11-7-20/h6-13,16,23H,5,14-15,17-18H2,1-4H3,(H,28,33)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | YGDMRJRMDOCTSK-HSZRJFAPSA-N |