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1H-isoindole-2-acetamide, N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-

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1H-isoindole-2-acetamide, N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-
SpectraBase Compound ID 9biQvSNABh3
InChI InChI=1S/C25H31N3O4S2/c1-33-17-14-23(28-18-19-8-4-5-9-22(19)25(28)30)24(29)26-20-10-12-21(13-11-20)34(31,32)27-15-6-2-3-7-16-27/h4-5,8-13,23H,2-3,6-7,14-18H2,1H3,(H,26,29)
InChIKey SAIVJDZYVRFNSN-UHFFFAOYSA-N
Mol Weight 501.66 g/mol
Molecular Formula C25H31N3O4S2
Exact Mass 501.175599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7IoswPIyMs
Name 1H-isoindole-2-acetamide, N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.175598834 u
Formula C25H31N3O4S2
InChI InChI=1S/C25H31N3O4S2/c1-33-17-14-23(28-18-19-8-4-5-9-22(19)25(28)30)24(29)26-20-10-12-21(13-11-20)34(31,32)27-15-6-2-3-7-16-27/h4-5,8-13,23H,2-3,6-7,14-18H2,1H3,(H,26,29)
InChIKey SAIVJDZYVRFNSN-UHFFFAOYSA-N
Molecular Weight 501.660 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_709
Solvent DMSO-d6
Source Vendor ID: NMR/12669874