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1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(TRANS-4-HYDROXYCYCLOHEXYL)-UREA
SpectraBase Compound ID 3miK0SExV2E
InChI InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-
InChIKey IUWSGCQEWOOQDN-IYARVYRRSA-N
Mol Weight 510.01 g/mol
Molecular Formula C23H28ClN3O6S
Exact Mass 509.138735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOrsmcH6RD3
Name 1-[[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)-ETHYL]-PHENYL]-SULFONYL]-3-(TRANS-4-HYDROXYCYCLOHEXYL)-UREA
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28ClN3O6S
InChI InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-
InChIKey IUWSGCQEWOOQDN-IYARVYRRSA-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 510.005 g/mol
Sample ID 29263
Solvent DMSO-D6