| SpectraBase Compound ID | 6KlnWnd6Ek |
|---|---|
| InChI | InChI=1S/C26H32ClN5O3S/c27-21-12-14-23(15-13-21)36(34,35)31-25-24(30-19-32(25)18-20-8-3-1-4-9-20)26(33)29-17-7-16-28-22-10-5-2-6-11-22/h1,3-4,8-9,12-15,19,22,28,31H,2,5-7,10-11,16-18H2,(H,29,33) |
| InChIKey | ZMRZHCWSQSSBHC-UHFFFAOYSA-N |
| Mol Weight | 530.1 g/mol |
| Molecular Formula | C26H32ClN5O3S |
| Exact Mass | 529.191439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jn8lW2Fl48d |
|---|---|
| Name | 5-(4-Chlorophenylsulfonylamino)-1-phenylmethyl-1H-imidazole-N-(3-cyclohexylamino-propyl)-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 529.191438781 u |
| Formula | C26H32ClN5O3S |
| InChI | InChI=1S/C26H32ClN5O3S/c27-21-12-14-23(15-13-21)36(34,35)31-25-24(30-19-32(25)18-20-8-3-1-4-9-20)26(33)29-17-7-16-28-22-10-5-2-6-11-22/h1,3-4,8-9,12-15,19,22,28,31H,2,5-7,10-11,16-18H2,(H,29,33) |
| InChIKey | ZMRZHCWSQSSBHC-UHFFFAOYSA-N |
| Molecular Weight | 530.087 g/mol |
| SMILES | C=1(S(NC2=C(C(=O)NCCCNC3CCCCC3)N=CN2CC=2C=CC=CC2)(=O)=O)C=CC(=CC1)Cl |