SpectraBase Spectrum ID |
9ZAS6SYF7v9 |
Name |
Acetic acid, 2-[5-methyl-2-(1-methylethyl)-4-[(4-phenyl-1-piperazinyl)sulfonyl]phenoxy]-, methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.187543243 u |
Formula |
C23H30N2O5S |
InChI |
InChI=1S/C23H30N2O5S/c1-17(2)20-15-22(18(3)14-21(20)30-16-23(26)29-4)31(27,28)25-12-10-24(11-13-25)19-8-6-5-7-9-19/h5-9,14-15,17H,10-13,16H2,1-4H3 |
InChIKey |
ABRQCPRVMOQCRS-UHFFFAOYSA-N |
Molecular Weight |
446.562 g/mol |
SMILES |
C=1C=CC(N2CCN(S(C3=CC(=C(OCC(=O)OC)C=C3C)C(C)C)(=O)=O)CC2)=CC1 |