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Glycine, N-[2-[4-(hexadecylsulfonyl)-1-piperazinyl]acetyl]-N-methyl-, ethyl ester
SpectraBase Compound ID GgPKkHBAQlw
InChI InChI=1S/C27H53N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36(33,34)30-21-19-29(20-22-30)24-26(31)28(3)25-27(32)35-5-2/h4-25H2,1-3H3
InChIKey JJGJEZZCEBKVFK-UHFFFAOYSA-N
Mol Weight 531.8 g/mol
Molecular Formula C27H53N3O5S
Exact Mass 531.370593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNZLbJnhs6i
Name Glycine, N-[2-[4-(hexadecylsulfonyl)-1-piperazinyl]acetyl]-N-methyl-, ethyl ester
Alternate Name(s) Ethyl 2-(2-(4-(hexadecylsulfonyl)piperazin-1-yl)-N-methylacetamido)acetate Ethyl N-{[4-(hexadecylsulfonyl)piperazin-1-yl]acetyl}-N-methylglycinate 2-[[2-(4-hexadecylsulfonyl-1-piperazinyl)-1-oxoethyl]-methylamino]acetic acid ethyl ester Ethyl 2-[[2-(4-hexadecylsulfonylpiperazin-1-yl)acetyl]-methylamino]acetate Ethyl 2-[[2-(4-hexadecylsulfonylpiperazin-1-yl)acetyl]-methyl-amino]acetate Ethyl 2-[2-(4-hexadecylsulfonylpiperazin-1-yl)ethanoyl-methyl-amino]ethanoate
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Formula C27H53N3O5S
InChI InChI=1S/C27H53N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36(33,34)30-21-19-29(20-22-30)24-26(31)28(3)25-27(32)35-5-2/h4-25H2,1-3H3
InChIKey JJGJEZZCEBKVFK-UHFFFAOYSA-N
Molecular Weight 531.797 g/mol
SMILES CCCCCCCCCCCCCCCCS(=O)(=O)N1CCN(CC1)CC(=O)N(C)CC(=O)OCC
SPLASH splash10-000i-9002000000-fa06566a996bec23f750
Source of Spectrum JX-2015-4-1090
Wiley ID 1726488