| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NS(=O)(=O)c1cccc(c1)c1nc(nc2CCCc21)N1CCC1C |
| InChI | InChI | 1.06 | InChI=1S/C17H20N4O2S/c1-11-8-9-21(11)17-19-15-7-3-6-14(15)16(20-17)12-4-2-5-13(10-12)24(18,22)23/h2,4-5,10-11H,3,6-9H2,1H3,(H2,18,22,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PUUJKMGEYHKOSD-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN1c2nc3CCCc3c(n2)c4cccc(c4)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCN1c2nc3CCCc3c(n2)c4cccc(c4)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CCN1c2nc3c(c(n2)c4cccc(c4)S(=O)(=O)N)CCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCN1c2nc3c(c(n2)c4cccc(c4)S(=O)(=O)N)CCC3 |
