Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=[N+]([O-])C1=C(N=CNC1=O)NCc2ccc(cc2)S(=O)(=O)N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CNC2=C(C(=O)NC=N2)[N+]([O-])=O)cc1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CNC2=C(C(=O)NC=N2)[N+]([O-])=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C11H11N5O5S/c12-22(20,21)8-3-1-7(2-4-8)5-13-10-9(16(18)19)11(17)15-6-14-10/h1-4,6H,5H2,(H2,12,20,21)(H2,13,14,15,17) |
InChIKey | InChI | 1.03 | OFSBPMITNGFAFH-UHFFFAOYSA-N |