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5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloranyl-N-phenyl-benzamide
SpectraBase Compound ID IhmKhjXJVRO
InChI InChI=1S/C27H32ClN3O3S/c28-25-7-6-23(15-24(25)26(32)29-22-4-2-1-3-5-22)35(33,34)31-10-8-30(9-11-31)27-16-19-12-20(17-27)14-21(13-19)18-27/h1-7,15,19-21H,8-14,16-18H2,(H,29,32)/t19-,20+,21-,27-
InChIKey MYCLNKGJIVQOAH-PHWDIDRRSA-N
Mol Weight 514.1 g/mol
Molecular Formula C27H32ClN3O3S
Exact Mass 513.185291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqldoRhRm3T
Name 5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloranyl-N-phenyl-benzamide
Alternate Name(s) 5-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-2-chloro-N-phenyl-benzamide 5-[4-(1-adamantyl)piperazino]sulfonyl-2-chloro-N-phenyl-benzamide 5-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-2-chloro-N-phenylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32ClN3O3S
InChI InChI=1S/C27H32ClN3O3S/c28-25-7-6-23(15-24(25)26(32)29-22-4-2-1-3-5-22)35(33,34)31-10-8-30(9-11-31)27-16-19-12-20(17-27)14-21(13-19)18-27/h1-7,15,19-21H,8-14,16-18H2,(H,29,32)/t19-,20+,21-,27-
InChIKey MYCLNKGJIVQOAH-PHWDIDRRSA-N
Molecular Weight 514.084 g/mol
SMILES N(C(c1cc(S(N2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)(=O)=O)ccc1Cl)=O)c1ccccc1
SPLASH splash10-00kr-8940000000-94305308ccf69657e148
Wiley ID 1442519