WTK
Summary
| Name: | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide |
| Synonyms: | WT6 |
| Formula: | C14 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 312.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O4S/c1-3-14(17)15-11-6-7-13(12(10-11)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17) |
| InChIKey | InChI | 1.06 | AILXTTJHSNVSTA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(c(c1)OC)S(=O)(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(c(c1)OC)S(=O)(=O)N2CCCC2 |
