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2-[4-(1,4-THIAZINAN-4-YLSULFONYL)-PHENYLCARBAMOYL]-BENZOIC-ACID

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2-[4-(1,4-THIAZINAN-4-YLSULFONYL)-PHENYLCARBAMOYL]-BENZOIC-ACID
SpectraBase Compound ID I77aDPaShAi
InChI InChI=1S/C18H18N2O5S2/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)27(24,25)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,21)(H,22,23)
InChIKey YEZCXXCFGZJZRO-UHFFFAOYSA-N
Mol Weight 406.47 g/mol
Molecular Formula C18H18N2O5S2
Exact Mass 406.065714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DvbD4LNwcV
Name 2-[4-(1,4-THIAZINAN-4-YLSULFONYL)-PHENYLCARBAMOYL]-BENZOIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O5S2
InChI InChI=1S/C18H18N2O5S2/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)27(24,25)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,21)(H,22,23)
InChIKey YEZCXXCFGZJZRO-UHFFFAOYSA-N
Literature Reference Author L.M.LIMA,P.CASTRO,A.L.MACHADO,C.A.M.FRAGA,C.LUGNIER,V.L.G.D. MORAES,E.J.BARREIRO
Literature Reference Citation BIOORG.MED.CHEM.,10,3067(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00152-9
Molecular Weight 406.471 g/mol
Solvent DMSO-D6
Source File Reference UWSI24285