Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl |
InChI | InChI | 1.06 | InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22-,33-/m1/s1 |
InChIKey | InChI | 1.06 | BERGFUUTFFRLQM-DJAOPXNMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@@H]1CCN(C1)[S@](F)(=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[C@H](C3)c4ccccc4 |
SMILES | CACTVS | 3.385 | CN(C)[CH]1CCN(C1)[S](F)(=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[CH](C3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)[C@@H]1CCN(C1)[S@@](=Nc2ccc(c(c2)Cl)C(=O)N3CCO[C@H](C3)c4ccccc4)(=O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1CCN(C1)S(=Nc2ccc(c(c2)Cl)C(=O)N3CCOC(C3)c4ccccc4)(=O)F |