Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C(N2CC(N1)CCCS2(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F |
InChI | InChI | 1.03 | InChI=1S/C30H32F3N3O3S/c31-22-10-6-20(7-11-22)27(21-8-12-23(32)13-9-21)17-30(37)35-29-5-1-4-28(33)26(29)15-14-25-18-34-24-3-2-16-40(38,39)36(25)19-24/h1,4-13,24-25,27,34H,2-3,14-19H2,(H,35,37)/t24-,25+/m1/s1 |
InChIKey | InChI | 1.03 | AXPVBKYLWIKBKW-RPBOFIJWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[C@H]3CN[C@@H]4CCC[S](=O)(=O)[N@]3C4)c5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[CH]3CN[CH]4CCC[S](=O)(=O)[N]3C4)c5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)F)CCC2CNC3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F |