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(+)-1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(2-HYDROXY-1S-METHYLETHYL)-UREA
SpectraBase Compound ID 1b7eBgDWDF1
InChI InChI=1S/C20H24ClN3O6S2/c1-13(12-25)31-23-20(27)24-32(28,29)16-6-3-14(4-7-16)9-10-22-19(26)17-11-15(21)5-8-18(17)30-2/h3-8,11,13,25H,9-10,12H2,1-2H3,(H,22,26)(H2,23,24,27)/t13-/m0/s1
InChIKey VGKUWLIMSYEZBG-ZDUSSCGKSA-N
Mol Weight 502.0 g/mol
Molecular Formula C20H24ClN3O6S2
Exact Mass 501.079506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wH77AdooO6
Name (+)-1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(2-HYDROXY-1S-METHYLETHYL)-UREA
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24ClN3O6S2
InChI InChI=1S/C20H24ClN3O6S2/c1-13(12-25)31-23-20(27)24-32(28,29)16-6-3-14(4-7-16)9-10-22-19(26)17-11-15(21)5-8-18(17)30-2/h3-8,11,13,25H,9-10,12H2,1-2H3,(H,22,26)(H2,23,24,27)/t13-/m0/s1
InChIKey VGKUWLIMSYEZBG-ZDUSSCGKSA-N
Literature Reference Author R.A.HILL,S.RUDRA,B.PENG,D.S.ROANE,J.K.BOUNDS,Y.ZHANG,A.ADLOO ,T.LU
Literature Reference Citation BIOORG.MED.CHEM.,11,2099(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00606-5
Molecular Weight 502.000 g/mol
Sample ID 29273
Solvent DMSO-D6