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benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-N-(2-phenoxyphenyl)-

View entire compound with spectra: 2 NMR

benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-N-(2-phenoxyphenyl)-
SpectraBase Compound ID DouBXdXgpzR
InChI InChI=1S/C28H24N2O4S/c31-28(29-26-12-6-7-13-27(26)34-24-10-2-1-3-11-24)22-14-16-25(17-15-22)35(32,33)30-19-18-21-8-4-5-9-23(21)20-30/h1-17H,18-20H2,(H,29,31)
InChIKey MLBULISSMFCOGM-UHFFFAOYSA-N
Mol Weight 484.57 g/mol
Molecular Formula C28H24N2O4S
Exact Mass 484.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTEsbJTmcvW
Name Benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-N-(2-phenoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.145678431 u
Formula C28H24N2O4S
InChI InChI=1S/C28H24N2O4S/c31-28(29-26-12-6-7-13-27(26)34-24-10-2-1-3-11-24)22-14-16-25(17-15-22)35(32,33)30-19-18-21-8-4-5-9-23(21)20-30/h1-17H,18-20H2,(H,29,31)
InChIKey MLBULISSMFCOGM-UHFFFAOYSA-N
Molecular Weight 484.570 g/mol
SMILES N(C(C=1C=CC(S(N2CC=3C=CC=CC3CC2)(=O)=O)=CC1)=O)C=1C(OC=2C=CC=CC2)=CC=CC1