| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c2c1c(cncc1ccc2)C)N3C(CNCCC3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1CNCCCN1[S](=O)(=O)c2cccc3cncc(C)c23 |
| SMILES | CACTVS | 3.341 | C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cncc(C)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3C |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | AWDORCFLUJZUQS-ZDUSSCGKSA-N |
