WT6
Summary
| Name: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide |
| Formula: | C13 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 280.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16) |
| InChIKey | InChI | 1.06 | YWRDIVXHYHFOLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | C=CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2 |
