9RT
Summary
| Name: | 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide |
| Formula: | C13 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 277.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2S/c14-9-11-4-6-13(7-5-11)19(17,18)16-10-12-3-1-2-8-15-12/h1-8,16H,9-10,14H2 |
| InChIKey | InChI | 1.03 | XVNHUDOTGRKSHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2 |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN |
