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benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-

View entire compound with spectra: 2 NMR

benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-
SpectraBase Compound ID 1qa8bzyxYul
InChI InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)
InChIKey ZWLIOLNWONUVEB-UHFFFAOYSA-N
Mol Weight 489.63 g/mol
Molecular Formula C28H31N3O3S
Exact Mass 489.208613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cCrDFsOces
Name Benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.208613041 u
Formula C28H31N3O3S
InChI InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)
InChIKey ZWLIOLNWONUVEB-UHFFFAOYSA-N
Molecular Weight 489.634 g/mol
SMILES N(C(C=1C=CC(CN2CC=3C=CC=CC3CC2)=CC1)=O)C=1C=CC(S(N2CCCCC2)(=O)=O)=CC1