XQ9
Summary
| Name: | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea |
| Formula: | C17 H29 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 355.495 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)/t12-,13+,14-,17- |
| InChIKey | InChI | 1.03 | DBPGHZGPUBWOQS-ZZNDEYBLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 |
