Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 |
InChIKey | InChI | 1.03 | HYWYRSMBCFDLJT-UHFFFAOYSA-N |