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N-[4-[4-(1-adamantyl)piperazin-1-yl]sulfonylphenyl]acetamide
SpectraBase Compound ID Bys5DojbJv1
InChI InChI=1S/C22H31N3O3S/c1-16(26)23-20-2-4-21(5-3-20)29(27,28)25-8-6-24(7-9-25)22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,17-19H,6-15H2,1H3,(H,23,26)
InChIKey VGTYDUCMRFYZMO-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C22H31N3O3S
Exact Mass 417.208613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mNNTECJVI
Name N-[4-[4-(1-adamantyl)piperazin-1-yl]sulfonylphenyl]acetamide
Alternate Name(s) N-[4-[4-(1-adamantyl)piperazin-1-yl]sulfonylphenyl]ethanamide N-[4-[4-(1-adamantyl)piperazino]sulfonylphenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N3O3S
InChI InChI=1S/C22H31N3O3S/c1-16(26)23-20-2-4-21(5-3-20)29(27,28)25-8-6-24(7-9-25)22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,17-19H,6-15H2,1H3,(H,23,26)
InChIKey VGTYDUCMRFYZMO-UHFFFAOYSA-N
Molecular Weight 417.568 g/mol
SMILES N(c1ccc(S(N2CCN(CC2)C23CC4CC(C3)CC(C2)C4)(=O)=O)cc1)C(=O)C
SPLASH splash10-014r-4970000000-92b7e15e245044fdd672
Wiley ID 1443363