![N-{3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl}-2-methyl-4-quinolinecarboxamide](/api/spectrum/4ZLc4H1Ie7V/structure.png?h=300&w=458 "N-{3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl}-2-methyl-4-quinolinecarboxamide")
| SpectraBase Compound ID | BVwIeLY8IDP |
|---|---|
| InChI | InChI=1S/C21H20N4O3S/c1-14-13-17(15-7-2-4-9-18(15)24-14)21(26)23-12-6-11-22-20-16-8-3-5-10-19(16)29(27,28)25-20/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,26) |
| InChIKey | LTEJABXZWBZNSC-UHFFFAOYSA-N |
| Mol Weight | 408.48 g/mol |
| Molecular Formula | C21H20N4O3S |
| Exact Mass | 408.125612 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4ZLc4H1Ie7V |
|---|---|
| Name | N-{3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl}-2-methyl-4-quinolinecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.125611691 u |
| Formula | C21H20N4O3S |
| InChI | InChI=1S/C21H20N4O3S/c1-14-13-17(15-7-2-4-9-18(15)24-14)21(26)23-12-6-11-22-20-16-8-3-5-10-19(16)29(27,28)25-20/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,26) |
| InChIKey | LTEJABXZWBZNSC-UHFFFAOYSA-N |
| Molecular Weight | 408.476 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4027 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12308649 |