SpectraBase Spectrum ID |
Hj8ffjRwmEl |
Name |
Piperazine, 1-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]sulfonyl]-4-(4-methoxyphenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
418.192628624 u |
Formula |
C22H30N2O4S |
InChI |
InChI=1S/C22H30N2O4S/c1-16(2)20-15-22(17(3)14-21(20)28-5)29(25,26)24-12-10-23(11-13-24)18-6-8-19(27-4)9-7-18/h6-9,14-16H,10-13H2,1-5H3 |
InChIKey |
LLGNRNKTMFDLCB-UHFFFAOYSA-N |
Molecular Weight |
418.552 g/mol |
SMILES |
COC=1C=CC(N2CCN(S(C=3C=C(C(C)C)C(=CC3C)OC)(=O)=O)CC2)=CC1 |