Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2ccc(c1ccccc1S(=O)(=O)C)cc2F)C4(N(C(=O)Nc3ccc(Cl)cc3)CCCC)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCN(C(=O)Nc1ccc(Cl)cc1)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C)(=O)=O |
SMILES | CACTVS | 3.341 | CCCCN(C(=O)Nc1ccc(Cl)cc1)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C28H29ClFN3O4S/c1-3-4-17-33(27(35)31-21-12-10-20(29)11-13-21)28(15-16-28)26(34)32-24-14-9-19(18-23(24)30)22-7-5-6-8-25(22)38(2,36)37/h5-14,18H,3-4,15-17H2,1-2H3,(H,31,35)(H,32,34) |
InChIKey | InChI | 1.03 | YZDZQPIVASXYKY-UHFFFAOYSA-N |