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2-(methylthio)-N-[2-(4-piperidinosulfonylphenyl)ethyl]benzamide
SpectraBase Compound ID LBWkAafsKmM
InChI InChI=1S/C21H26N2O3S2/c1-27-20-8-4-3-7-19(20)21(24)22-14-13-17-9-11-18(12-10-17)28(25,26)23-15-5-2-6-16-23/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,22,24)
InChIKey IIIISBBIMGFDBD-UHFFFAOYSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BBS9uTFlvK
Name 2-(methylthio)-N-[2-(4-piperidinosulfonylphenyl)ethyl]benzamide
Alternate Name(s) 2-(methylthio)-N-[2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]benzamide 2-Methylsulfanyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide 2-Methylsulfanyl-N-[2-[4-(1-piperidylsulfonyl)phenyl]ethyl]benzamide
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Formula C21H26N2O3S2
InChI InChI=1S/C21H26N2O3S2/c1-27-20-8-4-3-7-19(20)21(24)22-14-13-17-9-11-18(12-10-17)28(25,26)23-15-5-2-6-16-23/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,22,24)
InChIKey IIIISBBIMGFDBD-UHFFFAOYSA-N
Molecular Weight 418.570 g/mol
SMILES N(C(c1c(SC)cccc1)=O)CCc1ccc(S(N2CCCCC2)(=O)=O)cc1
SPLASH splash10-0udi-9800000000-dc05c79a01ab774e37a3
Wiley ID 1466329