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1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(4-HYDROXYBUTYL)-UREA
SpectraBase Compound ID CCfIZN8P543
InChI InChI=1S/C21H26ClN3O6S/c1-31-19-9-6-16(22)14-18(19)20(27)23-12-10-15-4-7-17(8-5-15)32(29,30)25-21(28)24-11-2-3-13-26/h4-9,14,26H,2-3,10-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKey DFTQVVIIHNPSNR-UHFFFAOYSA-N
Mol Weight 483.97 g/mol
Molecular Formula C21H26ClN3O6S
Exact Mass 483.123084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VnGEt6sc5D
Name 1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(4-HYDROXYBUTYL)-UREA
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26ClN3O6S
InChI InChI=1S/C21H26ClN3O6S/c1-31-19-9-6-16(22)14-18(19)20(27)23-12-10-15-4-7-17(8-5-15)32(29,30)25-21(28)24-11-2-3-13-26/h4-9,14,26H,2-3,10-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKey DFTQVVIIHNPSNR-UHFFFAOYSA-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 483.967 g/mol
Sample ID 29269
Solvent DMSO-D6