A1I2A
Summary
| Name: | 5-pyrrolidin-1-ylsulfonyl-1~{H}-pyridin-2-one |
| Formula: | C9 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 228.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-pyrrolidin-1-ylsulfonyl-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12) |
| InChIKey | InChI | 1.06 | QOYWWWXFIYKITJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(C=C1)[S](=O)(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(C=C1)[S](=O)(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)S(=O)(=O)C2=CNC(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)S(=O)(=O)C2=CNC(=O)C=C2 |
