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N-[(1S)-2-hexahydro-1H-azepin-1-yl-1-methyl-2-oxoethyl]-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
SpectraBase Compound ID 4tLOWtpckfO
InChI InChI=1S/C22H33N3O5S/c1-17(22(27)24-13-5-3-4-6-14-24)23-21(26)18-11-15-25(16-12-18)31(28,29)20-9-7-19(30-2)8-10-20/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,26)
InChIKey LRAFKRBVVMMSGJ-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C22H33N3O5S
Exact Mass 451.214092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DHWf32vDQH
Name N-[(1S)-2-hexahydro-1H-azepin-1-yl-1-methyl-2-oxoethyl]-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
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/C22H33N3O5S/c1-17(22(27)24-13-5-3-4-6-14-24)23-21(26)18-11-15-25(16-12-18)31(28,29)20-9-7-19(30-2)8-10-20/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,26)
InChIKey LRAFKRBVVMMSGJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35966
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: E98124; SBI_ID: SBI-035970
Synonyms N-[2-hexahydro-1H-azepin-1-yl-1-methyl-2-oxoethyl]-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
Temperature 308 °C