Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(C(C(F)(F)F)(F)C(F)(F)F)ccc(c1)C3(CN(C(=O)C2CCC(CC2)C(O)=O)CC3)S(c4ccc(cc4)F)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C27H25F8NO5S/c28-20-9-11-21(12-10-20)42(40,41)24(13-14-36(15-24)22(37)16-1-3-17(4-2-16)23(38)39)18-5-7-19(8-6-18)25(29,26(30,31)32)27(33,34)35/h5-12,16-17H,1-4,13-15H2,(H,38,39)/t16-,17-,24-/m0/s1 |
InChIKey | InChI | 1.03 | AVHWMAVUUHFRKE-UAVUOLJFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@H](CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C](C2)(c3ccc(cc3)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F |