![2-chloro-N-{4-[(pentanoylamino)sulfonyl]phenyl}benzamide](/api/spectrum/DcuHactnQXQ/structure.png?h=300&w=458 "2-chloro-N-{4-[(pentanoylamino)sulfonyl]phenyl}benzamide")
| SpectraBase Compound ID | BbL4jKXRXaC |
|---|---|
| InChI | InChI=1S/C18H19ClN2O4S/c1-2-3-8-17(22)21-26(24,25)14-11-9-13(10-12-14)20-18(23)15-6-4-5-7-16(15)19/h4-7,9-12H,2-3,8H2,1H3,(H,20,23)(H,21,22) |
| InChIKey | SXEXNMFVNCOQGD-UHFFFAOYSA-N |
| Mol Weight | 394.87 g/mol |
| Molecular Formula | C18H19ClN2O4S |
| Exact Mass | 394.075406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcuHactnQXQ |
|---|---|
| Name | 2-Chloro-N-{4-[(pentanoylamino)sulfonyl]phenyl}benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.075405970 u |
| Formula | C18H19ClN2O4S |
| InChI | InChI=1S/C18H19ClN2O4S/c1-2-3-8-17(22)21-26(24,25)14-11-9-13(10-12-14)20-18(23)15-6-4-5-7-16(15)19/h4-7,9-12H,2-3,8H2,1H3,(H,20,23)(H,21,22) |
| InChIKey | SXEXNMFVNCOQGD-UHFFFAOYSA-N |
| Molecular Weight | 394.873 g/mol |
| SMILES | N(C(C1=C(Cl)C=CC=C1)=O)C=1C=CC(S(NC(=O)CCCC)(=O)=O)=CC1 |