| SpectraBase Compound ID | Jygn31GDlrl |
|---|---|
| InChI | InChI=1S/C27H34ClN5O3S.H2O/c28-22-12-14-24(15-13-22)37(35,36)32-26-25(31-20-33(26)19-16-21-8-3-1-4-9-21)27(34)30-18-7-17-29-23-10-5-2-6-11-23;/h1,3-4,8-9,12-15,20,23,29,32H,2,5-7,10-11,16-19H2,(H,30,34);1H2 |
| InChIKey | BHBICSZBZYJEFQ-UHFFFAOYSA-N |
| Mol Weight | 562.129 g/mol |
| Molecular Formula | C27H36ClN5O4S |
| Exact Mass | 561.217654 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6j6vR8WM1pL |
|---|---|
| Name | 5-(4-Chlorophenylsulfonylamino)-1-(2-phenylethyl)-1H-imidazole-N-(3-cyclohexylamino-propyl)-4-carboxamide dihydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36ClN5O4S |
| InChI | InChI=1S/C27H34ClN5O3S.H2O/c28-22-12-14-24(15-13-22)37(35,36)32-26-25(31-20-33(26)19-16-21-8-3-1-4-9-21)27(34)30-18-7-17-29-23-10-5-2-6-11-23;/h1,3-4,8-9,12-15,20,23,29,32H,2,5-7,10-11,16-19H2,(H,30,34);1H2 |
| InChIKey | BHBICSZBZYJEFQ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200500150 |
| Molecular Weight | 562.129 g/mol |
| SMILES | N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)CCc1ccccc1.O |
| SPLASH | splash10-0rki-0932010000-e1f883536bbb4cb24995 |
| Source of Spectrum | APC-338-544-6b |
| Synonyms | 5-(4-Chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1-phenethyl-1H-imidazole-4-carboxamide hydrate |
| Wiley ID | 1768646 |