Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17) |
InChIKey | InChI | 1.06 | CSGYXQGPYNFEFB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(CC1)N[S](=O)(=O)c2cnc3NC(=O)NC(=O)c3c2 |
SMILES | CACTVS | 3.385 | CC1(CC1)N[S](=O)(=O)c2cnc3NC(=O)NC(=O)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC1)NS(=O)(=O)c2cc3c(nc2)NC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC1)NS(=O)(=O)c2cc3c(nc2)NC(=O)NC3=O |