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3-isoquinolinecarboxamide, 1,2,3,4-tetrahydro-2-(methylsulfonyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-
SpectraBase Compound ID Bo78RRQtK8E
InChI InChI=1S/C22H27N3O5S2/c1-31(27,28)25-16-18-8-4-3-7-17(18)15-21(25)22(26)23-19-9-11-20(12-10-19)32(29,30)24-13-5-2-6-14-24/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKey YHXGVRNHSIFODB-UHFFFAOYSA-N
Mol Weight 477.59 g/mol
Molecular Formula C22H27N3O5S2
Exact Mass 477.139213 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AH1TthZwRr
Name 3-isoquinolinecarboxamide, 1,2,3,4-tetrahydro-2-(methylsulfonyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-
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/C22H27N3O5S2/c1-31(27,28)25-16-18-8-4-3-7-17(18)15-21(25)22(26)23-19-9-11-20(12-10-19)32(29,30)24-13-5-2-6-14-24/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKey YHXGVRNHSIFODB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8511
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/12258886