HKK
Summary
| Name: | ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide |
| Formula: | C11 H13 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 288.751 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClN2O3S/c1-18(15,16)14-10-6-9(7-13-11(10)12)8-2-4-17-5-3-8/h2,6-7,14H,3-5H2,1H3 |
| InChIKey | InChI | 1.03 | PGVPPOVJVOILFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 |
