| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | RJSPNRDBWHHFMH-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2c([nH]c(c3ccccc3)c2[C@@H](C[N+]([O-])=O)c4sccc4)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2c([nH]c(c3ccccc3)c2[CH](C[N+]([O-])=O)c4sccc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]c(c2[C@@H](C[N+](=O)[O-])c3cccs3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]c(c2C(C[N+](=O)[O-])c3cccs3)c4ccccc4 |
