Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc2cc(OCc1ccccc1)ccc2C5C6=C(Nc3c(O)cccc3N5C(=O)c4nc(ccc4)C)CC(CS6(=O)=O)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(n1)C(=O)N2[C@@H](c3ccc(OCc4ccccc4)cc3F)C5=C(CC(C)(C)C[S]5(=O)=O)Nc6c(O)cccc26 |
SMILES | CACTVS | 3.341 | Cc1cccc(n1)C(=O)N2[CH](c3ccc(OCc4ccccc4)cc3F)C5=C(CC(C)(C)C[S]5(=O)=O)Nc6c(O)cccc26 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C(C2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C34H32FN3O5S/c1-21-9-7-12-26(36-21)33(40)38-28-13-8-14-29(39)30(28)37-27-18-34(2,3)20-44(41,42)32(27)31(38)24-16-15-23(17-25(24)35)43-19-22-10-5-4-6-11-22/h4-17,31,37,39H,18-20H2,1-3H3/t31-/m0/s1 |
InChIKey | InChI | 1.03 | CLEOWFBQYYBWRR-HKBQPEDESA-N |