Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC3CCCCCC3)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21) |
InChIKey | InChI | 1.03 | BIASYWBGUYOWJR-UHFFFAOYSA-N |