| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(N)(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4O4S/c1-11(12-5-3-2-4-6-12)10-17-18-14-8-7-13(24(16,22)23)9-15(14)19(20)21/h2-9,11,17-18H,10H2,1H3,(H2,16,22,23)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | NSSXWTMELVHXJK-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CNNc1ccc(cc1[N+]([O-])=O)[S](N)(=O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH](CNNc1ccc(cc1[N+]([O-])=O)[S](N)(=O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](CNNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(CNNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N)c2ccccc2 |
