MSJ
Summary
| Name: | N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide |
| Formula: | C17 H23 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 381.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methyl-pentan-2-yl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)NC(C)(C)CCCOCN2C=CC(=O)NC2=O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CCCOCN1C=CC(=O)NC1=O)N[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.370 | CC(C)(CCCOCN1C=CC(=O)NC1=O)N[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22) |
| InChIKey | InChI | 1.03 | RMYLCQFHDYJCJN-UHFFFAOYSA-N |
