Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c4cc(c1nn(c2CCN(Cc12)S(C)(=O)=O)CCCN3CCC(CC3)C(C)(C)C)ccc4C(F)(F)F)NCc5ccc(cc5)F |
InChI | InChI | 1.03 | InChI=1S/C34H45F4N5O2S/c1-33(2,3)27-12-17-41(18-13-27)15-5-16-43-31-14-19-42(46(4,44)45)23-29(31)32(40-43)25-8-11-30(34(36,37)38)26(20-25)22-39-21-24-6-9-28(35)10-7-24/h6-11,20,27,39H,5,12-19,21-23H2,1-4H3 |
InChIKey | InChI | 1.03 | CJOOHSAYHGMMHB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C1CCN(CCCn2nc(c3ccc(c(CNCc4ccc(F)cc4)c3)C(F)(F)F)c5CN(CCc25)[S](C)(=O)=O)CC1 |
SMILES | CACTVS | 3.385 | CC(C)(C)C1CCN(CCCn2nc(c3ccc(c(CNCc4ccc(F)cc4)c3)C(F)(F)F)c5CN(CCc25)[S](C)(=O)=O)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C |