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4-Bromanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide
SpectraBase Compound ID 6RZ5SlzdHPL
InChI InChI=1S/C20H20BrN3O3S2/c21-16-8-7-13(11-18(16)29(26,27)24-9-2-1-3-10-24)19(25)23-20-15(12-22)14-5-4-6-17(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)
InChIKey MXCAOYVUZGSJPG-UHFFFAOYSA-N
Mol Weight 494.42 g/mol
Molecular Formula C20H20BrN3O3S2
Exact Mass 493.012947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ik1VNVrZXD
Name 4-Bromanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide
Alternate Name(s) 4-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide 4-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(1-piperidylsulfonyl)benzamide 4-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-piperidin-1-ylsulfonylbenzamide 4-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-piperidinosulfonyl-benzamide
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Formula C20H20BrN3O3S2
InChI InChI=1S/C20H20BrN3O3S2/c21-16-8-7-13(11-18(16)29(26,27)24-9-2-1-3-10-24)19(25)23-20-15(12-22)14-5-4-6-17(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)
InChIKey MXCAOYVUZGSJPG-UHFFFAOYSA-N
Molecular Weight 494.422 g/mol
SMILES N(c1c(c2CCCc2s1)C#N)C(c1cc(S(N2CCCCC2)(=O)=O)c(cc1)Br)=O
SPLASH splash10-001i-9617200000-ea75a7a25dee1c599253
Wiley ID 1443842