![cyclohexanecarboxamide, N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-4-[[[(4-methylphenyl)sulfonyl]amino]methyl]-](/api/spectrum/8gvRDXFM3tN/structure.png?h=300&w=458 "cyclohexanecarboxamide, N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-4-[[[(4-methylphenyl)sulfonyl]amino]methyl]-")
| SpectraBase Compound ID | GbZME2rEaQU |
|---|---|
| InChI | InChI=1S/C23H28FN3O4S/c1-16-5-11-21(12-6-16)32(30,31)26-14-17-7-9-18(10-8-17)23(29)25-15-22(28)27-20-4-2-3-19(24)13-20/h2-6,11-13,17-18,26H,7-10,14-15H2,1H3,(H,25,29)(H,27,28) |
| InChIKey | IOEJDERFUIVQMF-UHFFFAOYSA-N |
| Mol Weight | 461.55 g/mol |
| Molecular Formula | C23H28FN3O4S |
| Exact Mass | 461.178456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gvRDXFM3tN |
|---|---|
| Name | Cyclohexanecarboxamide, N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-4-[[[(4-methylphenyl)sulfonyl]amino]methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.178455727 u |
| Formula | C23H28FN3O4S |
| InChI | InChI=1S/C23H28FN3O4S/c1-16-5-11-21(12-6-16)32(30,31)26-14-17-7-9-18(10-8-17)23(29)25-15-22(28)27-20-4-2-3-19(24)13-20/h2-6,11-13,17-18,26H,7-10,14-15H2,1H3,(H,25,29)(H,27,28) |
| InChIKey | IOEJDERFUIVQMF-UHFFFAOYSA-N |
| Molecular Weight | 461.552 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)CC1CCC(C(NCC(NC2=CC(F)=CC=C2)=O)=O)CC1 |