Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OCC3CC3)S(C)(=O)=O)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C25H25FN4O4S/c1-29-13-22(21-12-18(35(2,32)33)6-8-24(21)34-15-16-3-4-16)20-11-17(5-7-19(20)25(29)31)23-14-30(10-9-26)28-27-23/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3 |
InChIKey | InChI | 1.06 | HMQNRXOXMRPDAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(c2cc(ccc2OCC3CC3)[S](C)(=O)=O)c4cc(ccc4C1=O)c5cn(CCF)nn5 |
SMILES | CACTVS | 3.385 | CN1C=C(c2cc(ccc2OCC3CC3)[S](C)(=O)=O)c4cc(ccc4C1=O)c5cn(CCF)nn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OCC5CC5)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OCC5CC5)S(=O)(=O)C |