A1EFY
Summary
| Name: | ~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide |
| Formula: | C12 H15 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 281.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-7-6-10-8-13-9-14-10/h2-5,8-9,15H,6-7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | UTGKZTJNMQHXAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCCc2[nH]cnc2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCCc2[nH]cnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCCc2cnc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCCc2cnc[nH]2 |
