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1-(1-Adamantyl)-4-({3-[(4-chlorophenyl)sulfonyl]phenyl}sulfonyl)piperazine
SpectraBase Compound ID Cbnaxl7jiP3
InChI InChI=1S/C26H31ClN2O4S2/c27-22-4-6-23(7-5-22)34(30,31)24-2-1-3-25(15-24)35(32,33)29-10-8-28(9-11-29)26-16-19-12-20(17-26)14-21(13-19)18-26/h1-7,15,19-21H,8-14,16-18H2/t19-,20+,21-,26-
InChIKey KMWCGQOWRXLYAI-AFJPGINASA-N
Mol Weight 535.12 g/mol
Molecular Formula C26H31ClN2O4S2
Exact Mass 534.141378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wcvXyGcCW
Name 1-(1-Adamantyl)-4-({3-[(4-chlorophenyl)sulfonyl]phenyl}sulfonyl)piperazine
Alternate Name(s) 1-Adamantan-1-yl-4-[3-(4-chloro-benzenesulfonyl)-benzenesulfonyl]-piperazine 3-{[4-(1-adamantyl)-1-piperazinyl]sulfonyl}phenyl 4-chlorophenyl sulfone 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31ClN2O4S2
InChI InChI=1S/C26H31ClN2O4S2/c27-22-4-6-23(7-5-22)34(30,31)24-2-1-3-25(15-24)35(32,33)29-10-8-28(9-11-29)26-16-19-12-20(17-26)14-21(13-19)18-26/h1-7,15,19-21H,8-14,16-18H2/t19-,20+,21-,26-
InChIKey KMWCGQOWRXLYAI-AFJPGINASA-N
Molecular Weight 535.117 g/mol
SMILES c1cc(S(c2ccc(cc2)Cl)(=O)=O)cc(S(N2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)(=O)=O)c1
SPLASH splash10-00kr-9840000000-799a591b1cabb7b8976b
Wiley ID 1442504