| SpectraBase Spectrum ID |
1HCkaOvwEiC |
| Name |
2-Pyridinecarboxylic acid, 6-ethoxy-4-hexyl-1,4,5,6-tetrahydro-1-(phenylsulfonyl)-, ethyl ester, cis- |
| CAS Registry Number |
132646-87-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H33NO5S |
| InChI |
InChI=1S/C22H33NO5S/c1-4-7-8-10-13-18-16-20(22(24)28-6-3)23(21(17-18)27-5-2)29(25,26)19-14-11-9-12-15-19/h9,11-12,14-16,18,21H,4-8,10,13,17H2,1-3H3/t18-,21-/m0/s1 |
| InChIKey |
PBCWWUPCPKQMDT-RXVVDRJESA-N |
| Molecular Weight |
423.568 g/mol |
| SMILES |
c1(S(N2C(C(=O)OCC)=C[C@@](C[C@@]2(OCC)[H])(CCCCCC)[H])(=O)=O)ccccc1 |
| SPLASH |
splash10-002r-4390000000-464134fbb80d430fa4d3 |
| Source of Spectrum |
C-113-1724-21 |
| Synonyms |
(2R*,4S*)-1-(phenylsufonyl)-2-ethoxy-4-n-hexyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine
Ethyl (4R,6S)-6-ethoxy-4-hexyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate |
| Wiley ID |
1378945 |
