Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28) |
InChIKey | InChI | 1.03 | FQZLYYSRDPJOHB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O |