Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)CC4CC |
SMILES_CANONICAL | CACTVS | 3.352 | CC[C@H]1CC(=C(C(=O)N1Cc2ccc(F)cc2)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O |
SMILES | CACTVS | 3.352 | CC[CH]1CC(=C(C(=O)N1Cc2ccc(F)cc2)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O |
InChI | InChI | 1.03 | InChI=1S/C22H23FN4O6S2/c1-3-16-11-18(28)20(22(29)27(16)12-13-4-6-14(23)7-5-13)21-24-17-9-8-15(25-34(2,30)31)10-19(17)35(32,33)26-21/h4-10,16,25,28H,3,11-12H2,1-2H3,(H,24,26)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | GOKCBBJQDMIWKP-INIZCTEOSA-N |