9OB
Summary
| Name: | ~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide |
| Formula: | C17 H19 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 357.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O2S/c23-25(24,15-9-5-2-6-10-15)19-13-17-16(20-22-21-17)12-18-11-14-7-3-1-4-8-14/h1-10,18-19H,11-13H2,(H,20,21,22) |
| InChIKey | InChI | 1.03 | DXZUWXOTAHFHOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(NCc1nn[nH]c1CNCc2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(NCc1nn[nH]c1CNCc2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3 |
