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4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole
SpectraBase Compound ID 8FBDS4GZ2Fy
InChI InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3/t15-,16+,17-,21-
InChIKey ZYMOPYQZMQNHRK-YFHKMKNMSA-N
Mol Weight 432.6 g/mol
Molecular Formula C21H28N4O2S2
Exact Mass 432.165369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CufY8ifbmZV
Name 4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N4O2S2
InChI InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3/t15-,16+,17-,21-
InChIKey ZYMOPYQZMQNHRK-YFHKMKNMSA-N
Molecular Weight 432.601 g/mol
SMILES Cc1c(S(N2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)(=O)=O)c2c(nsn2)cc1
SPLASH splash10-014r-4960000000-3a7fb3e913d6f8fa5e5c
Synonyms 4-[4-(1-adamantyl)piperazino]sulfonyl-5-methyl-piazthiole 4-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-5-methyl-2,1,3-benzothiadiazole
Wiley ID 1463581