N6K
Summary
| Name: | ~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide |
| Synonyms: | N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor) |
| Formula: | C10 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 239.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13) |
| InChIKey | InChI | 1.06 | DECVSTKTZAVTKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2 |
