Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20) |
InChIKey | InChI | 1.06 | BRQQBTOXYBYHAN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=O)(=O)N |