N6U
Summary
| Name: | ~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide |
| Formula: | C9 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.06 | KBQTUGASKMRCFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccnc2c1cc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccnc2c1cc[nH]2 |
