![N-[4-(aminosulfonyl)benzyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide](/api/spectrum/84BkctLts5X/structure.png?h=300&w=458 "N-[4-(aminosulfonyl)benzyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide")
| SpectraBase Compound ID | 7w3W19VjVnb |
|---|---|
| InChI | InChI=1S/C27H27N3O4S/c1-2-3-15-34-21-8-6-7-20(16-21)26-17-24(23-9-4-5-10-25(23)30-26)27(31)29-18-19-11-13-22(14-12-19)35(28,32)33/h4-14,16-17H,2-3,15,18H2,1H3,(H,29,31)(H2,28,32,33) |
| InChIKey | QXSVSNBWHPUHFI-UHFFFAOYSA-N |
| Mol Weight | 489.59 g/mol |
| Molecular Formula | C27H27N3O4S |
| Exact Mass | 489.172228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84BkctLts5X |
|---|---|
| Name | N-[4-(Aminosulfonyl)benzyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.172227531 u |
| Formula | C27H27N3O4S |
| InChI | InChI=1S/C27H27N3O4S/c1-2-3-15-34-21-8-6-7-20(16-21)26-17-24(23-9-4-5-10-25(23)30-26)27(31)29-18-19-11-13-22(14-12-19)35(28,32)33/h4-14,16-17H,2-3,15,18H2,1H3,(H,29,31)(H2,28,32,33) |
| InChIKey | QXSVSNBWHPUHFI-UHFFFAOYSA-N |
| Molecular Weight | 489.590 g/mol |
| SMILES | N(CC1=CC=C(S(=O)(=O)N)C=C1)C(C1=CC(C2=CC(OCCCC)=CC=C2)=NC=2C1=CC=CC2)=O |