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2-[4-[4-[META-(ETHYLSULFONAMIDO)-PHENYL]-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE;EF-7412
SpectraBase Compound ID 4nyzMAEfXrD
InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,20,23H,2-4,6,9-16H2,1H3
InChIKey APHPLOYRLDEZMD-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C22H33N5O4S
Exact Mass 463.225326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KKdABiSIGA
Name 2-[4-[4-[META-(ETHYLSULFONAMIDO)-PHENYL]-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-PYRROLO-[1,2-C]-IMIDAZOLE;EF-7412
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33N5O4S
InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,20,23H,2-4,6,9-16H2,1H3
InChIKey APHPLOYRLDEZMD-UHFFFAOYSA-N
Literature Reference Author M.L.LOPEZ-RODRIGUEZ,M.J.MORCILLO,E.FERNANDEZ,E.PORRAS,L.OREN SANZ,M.E.BENEYTEZ,J.
Literature Reference Citation J.MED.CHEM.,44,186(2001)
Literature Reference DOI 10.1021/jm000929u
Molecular Weight 463.595 g/mol
Sample ID 43813
Solvent CDCl3