A1H53
Summary
| Name: | [4-[[(4-sulfamoylphenyl)amino]methyl]phenyl]boronic acid |
| Formula: | C13 H15 B N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 306.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-[[(4-sulfamoylphenyl)amino]methyl]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15BN2O4S/c15-21(19,20)13-7-5-12(6-8-13)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2,(H2,15,19,20) |
| InChIKey | InChI | 1.06 | SWSJCBDUGXEGLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NCc2ccc(cc2)B(O)O)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NCc2ccc(cc2)B(O)O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)CNc2ccc(cc2)S(=O)(=O)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)CNc2ccc(cc2)S(=O)(=O)N)(O)O |
