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3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide
SpectraBase Compound ID 4i4qz7Ymi8
InChI InChI=1S/C27H32N4O5S/c32-26(28-23-4-2-5-24(15-23)31(33)34)22-3-1-6-25(14-22)37(35,36)30-9-7-29(8-10-30)27-16-19-11-20(17-27)13-21(12-19)18-27/h1-6,14-15,19-21H,7-13,16-18H2,(H,28,32)/t19-,20+,21-,27-
InChIKey QUJSPACNMFCDJP-PHWDIDRRSA-N
Mol Weight 524.6 g/mol
Molecular Formula C27H32N4O5S
Exact Mass 524.209341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLsWAysSDkK
Name 3-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide
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Formula C27H32N4O5S
InChI InChI=1S/C27H32N4O5S/c32-26(28-23-4-2-5-24(15-23)31(33)34)22-3-1-6-25(14-22)37(35,36)30-9-7-29(8-10-30)27-16-19-11-20(17-27)13-21(12-19)18-27/h1-6,14-15,19-21H,7-13,16-18H2,(H,28,32)/t19-,20+,21-,27-
InChIKey QUJSPACNMFCDJP-PHWDIDRRSA-N
Molecular Weight 524.636 g/mol
SMILES N(C(c1cc(S(N2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)(=O)=O)ccc1)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-00kr-9820000000-5f2e87359060ec14ac65
Synonyms 3-[4-(1-adamantyl)piperazino]sulfonyl-N-(3-nitrophenyl)benzamide 3-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-N-(3-nitrophenyl)benzamide
Wiley ID 1442523