Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-4-8-11(4)5-6-10(4,5)14(6)13-7(5)12(5,11)9(13)15(4,8,13)14/h1-3H2,(H2,16,17,18) |
InChIKey | InChI | 1.03 | QLNJPQJBMGLBKN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N |