P8B
Summary
| Name: | Para-Carborane propyl-sulfonamide |
| Formula: | C5 H8 B10 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 254.298 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-11-6-4-7(6,11)9(4)10(4)8(4,6)12(5,6,11)14(5,8,10)15(5,9,10)13(5,7,9)11/h1-3H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | HBQBYDZBZCGZJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N |
