| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3 |
| InChIKey | InChI | 1.03 | BPPVUXSMLBXYGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C |
