Q3T
Summary
| Name: | Carborane methyl-sulfonamide |
| Formula: | C3 H4 B10 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 226.244 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/C3H4B10NO2S/c14-17(15,16)1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h1H2,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | OERSCPIETLGSDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)C[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)C[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N |
