SpectraBase Spectrum ID |
1DPC9GV3QFs |
Name |
bis(cis-4-[(ethoxycarbonyl)amino]cycloheptyl)sulfite |
CAS Registry Number |
95798-99-5 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H36N2O7S |
InChI |
InChI=1S/C20H36N2O7S/c1-3-26-19(23)21-15-7-5-9-17(13-11-15)28-30(25)29-18-10-6-8-16(12-14-18)22-20(24)27-4-2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16?,17+,18?,30?/m0/s1 |
InChIKey |
FDXUFOYVXXBPJU-YHGDBZRQSA-N |
Molecular Weight |
448.575 g/mol |
SMILES |
N(C(=O)OCC)[C@@]1(CC[C@](OS(OC2CCC(NC(=O)OCC)CCC2)=O)(CCC1)[H])[H] |
SPLASH |
splash10-001j-5900000000-4b844a1c3a0832983181 |
Source of Spectrum |
J-50-1823-28 |
Synonyms |
Ethyl (1S,4R)-4-{[({4-[(ethoxycarbonyl)amino]cycloheptyl}oxy)sulfinyl]oxy}cycloheptylcarbamate |
Wiley ID |
1387077 |