PKV
Summary
| Name: | [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
| Formula: | C11 H16 B N4 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 390.117 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16BN4O7PS/c1-9-2-4-11(5-3-9)25(21,22)13-6-10-7-16(15-14-10)8-12(17)23-24(18,19)20/h2-5,7,13,17H,6,8H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | YPLPGLUGELKLDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NCc2cn(CB(O)O[P](O)(O)=O)nn2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NCc2cn(CB(O)O[P](O)(O)=O)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O |
