Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)N[S](=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3 |
SMILES | CACTVS | 3.341 | CCC(=O)N[S](=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | TZRHLKRLEZJVIJ-UHFFFAOYSA-N |