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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-3-olate

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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID E0oOEcUnsd1
InChI InChI=1S/C24H29N3O6S2/c1-25(2)35(31,32)18-8-6-17(7-9-18)22(28)20-21(19-5-3-16-34-19)27(24(30)23(20)29)11-4-10-26-12-14-33-15-13-26/h3,5-9,16,21,29H,4,10-15H2,1-2H3
InChIKey SNMZKPJFRJANLG-UHFFFAOYSA-N
Mol Weight 519.63 g/mol
Molecular Formula C24H29N3O6S2
Exact Mass 519.149778 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6me49uWNRaf
Name 4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-3-olate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H29N3O6S2/c1-25(2)35(31,32)18-8-6-17(7-9-18)22(28)20-21(19-5-3-16-34-19)27(24(30)23(20)29)11-4-10-26-12-14-33-15-13-26/h3,5-9,16,21,29H,4,10-15H2,1-2H3
InChIKey SNMZKPJFRJANLG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1913
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11268327