![N-[(3-Cyclohexylamino)propyl]-2-(phenylsulfonylamino)-1,3-thiazol-4-yl-acetamide hydrate](/api/spectrum/ENRJlNCf3pC/structure.png?h=300&w=458 "N-[(3-Cyclohexylamino)propyl]-2-(phenylsulfonylamino)-1,3-thiazol-4-yl-acetamide hydrate")
| SpectraBase Compound ID | Aeb9ZkFweDU |
|---|---|
| InChI | InChI=1S/C20H28N4O3S2.H2O/c25-19(22-13-7-12-21-16-8-3-1-4-9-16)14-17-15-28-20(23-17)24-29(26,27)18-10-5-2-6-11-18;/h2,5-6,10-11,15-16,21H,1,3-4,7-9,12-14H2,(H,22,25)(H,23,24);1H2 |
| InChIKey | WQJMRURLZXUXQS-UHFFFAOYSA-N |
| Mol Weight | 454.604 g/mol |
| Molecular Formula | C20H30N4O4S2 |
| Exact Mass | 454.170848 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ENRJlNCf3pC |
|---|---|
| Name | N-[(3-Cyclohexylamino)propyl]-2-(phenylsulfonylamino)-1,3-thiazol-4-yl-acetamide hydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30N4O4S2 |
| InChI | InChI=1S/C20H28N4O3S2.H2O/c25-19(22-13-7-12-21-16-8-3-1-4-9-16)14-17-15-28-20(23-17)24-29(26,27)18-10-5-2-6-11-18;/h2,5-6,10-11,15-16,21H,1,3-4,7-9,12-14H2,(H,22,25)(H,23,24);1H2 |
| InChIKey | WQJMRURLZXUXQS-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200700046 |
| Molecular Weight | 454.604 g/mol |
| SMILES | N(C1CCCCC1)CCCNC(Cc1csc(n1)NS(=O)(=O)c1ccccc1)=O.O |
| SPLASH | splash10-004l-9833200000-324953b624f81bd18758 |
| Source of Spectrum | APC-341-654-3w |
| Synonyms | N-(3-(cyclohexylamino)propyl)-2-(2-(phenylsulfonamido)thiazol-4-yl)acetamide hydrate |
| Wiley ID | 1768913 |