443
Summary
| Name: | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one |
| Formula: | C22 H26 Cl N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 479.977 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-propanoyl]piperidin-4-yl]-1,3-diazinan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H](C[S](=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N3CC[C@@H](CC3)N4CCCNC4=O |
| SMILES | CACTVS | 3.352 | O[CH](C[S](=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N3CC[CH](CC3)N4CCCNC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)CC(C(=O)N3CCC(CC3)N4CCCNC4=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | GEHAEMCVKDPMKO-HXUWFJFHSA-N |
