| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(N3CCC(N(c1ccc(C#N)c(Cl)c1)Cc2ccccc2C)C3)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccccc1CN([C@H]2CCN(C2)[S](C)(=O)=O)c3ccc(C#N)c(Cl)c3 |
| SMILES | CACTVS | 3.352 | Cc1ccccc1CN([CH]2CCN(C2)[S](C)(=O)=O)c3ccc(C#N)c(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)C3CCN(C3)S(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | OTRAFCFYTZJLKH-IBGZPJMESA-N |
