![N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-1-adamantanecarboxamide](/api/spectrum/1SkIShLLacR/structure.png?h=300&w=458 "N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-1-adamantanecarboxamide")
| SpectraBase Compound ID | 5IdhDc7avPa |
|---|---|
| InChI | InChI=1S/C24H28N2O4S/c1-30-22-5-3-2-4-21(22)26-31(28,29)20-8-6-19(7-9-20)25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18,26H,10-15H2,1H3,(H,25,27)/t16-,17+,18-,24- |
| InChIKey | DQTDZNODJYWWSA-OXLXHMEASA-N |
| Mol Weight | 440.56 g/mol |
| Molecular Formula | C24H28N2O4S |
| Exact Mass | 440.176979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SkIShLLacR |
|---|---|
| Name | N-{4-[(2-Methoxyanilino)sulfonyl]phenyl}-1-adamantanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.176978560 u |
| Formula | C24H28N2O4S |
| InChI | InChI=1S/C24H28N2O4S/c1-30-22-5-3-2-4-21(22)26-31(28,29)20-8-6-19(7-9-20)25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18,26H,10-15H2,1H3,(H,25,27)/t16-,17+,18-,24- |
| InChIKey | DQTDZNODJYWWSA-OXLXHMEASA-N |
| Molecular Weight | 440.558 g/mol |
| SMILES | N(S(C1=CC=C(NC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C=C1)(=O)=O)C=1C(OC)=CC=CC1 |