Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H28FNO3S2/c1-25(16-23(24)13-7-4-8-14-23)22(26)19-12-11-17(15-21(19)30(3,27)28)18-9-5-6-10-20(18)29-2/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3 |
InChIKey | InChI | 1.06 | PAFGSEZHUCSUMW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1c2ccc(C(=O)N(C)CC3(F)CCCCC3)c(c2)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CSc1ccccc1c2ccc(C(=O)N(C)CC3(F)CCCCC3)c(c2)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC1(CCCCC1)F)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccccc3SC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC1(CCCCC1)F)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccccc3SC |