![4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-1-piperidinecarboximidic acid](/api/spectrum/2oYoROx1IOe/structure.png?h=300&w=458 "4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-1-piperidinecarboximidic acid")
| SpectraBase Compound ID | 2BRNdbGr6Ro |
|---|---|
| InChI | InChI=1S/C21H23F3N6O2S2/c1-14-8-10-29(11-9-14)20(26-25)28-34(31,32)16-6-4-15(5-7-16)30-17(18-3-2-12-33-18)13-19(27-30)21(22,23)24/h2-7,12-14H,8-11,25H2,1H3,(H,26,28) |
| InChIKey | SGIKMOKUFSWWHH-UHFFFAOYSA-N |
| Mol Weight | 512.57 g/mol |
| Molecular Formula | C21H23F3N6O2S2 |
| Exact Mass | 512.127601 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oYoROx1IOe |
|---|---|
| Name | 4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-1-piperidinecarboximidic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23F3N6O2S2 |
| InChI | InChI=1S/C21H23F3N6O2S2/c1-14-8-10-29(11-9-14)20(26-25)28-34(31,32)16-6-4-15(5-7-16)30-17(18-3-2-12-33-18)13-19(27-30)21(22,23)24/h2-7,12-14H,8-11,25H2,1H3,(H,26,28) |
| InChIKey | SGIKMOKUFSWWHH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56843M |
| Solvent | CDCl3 |