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N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(2-ethoxyphenyl)benzenesulfonamide

View entire compound with spectra: 2 NMR

N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(2-ethoxyphenyl)benzenesulfonamide
SpectraBase Compound ID CjlfaVpbC2w
InChI InChI=1S/C25H26N2O4S/c1-2-31-24-15-9-8-14-23(24)27(32(29,30)22-12-4-3-5-13-22)19-25(28)26-17-16-20-10-6-7-11-21(20)18-26/h3-15H,2,16-19H2,1H3
InChIKey LLBYHMBOUKCETP-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32STKWWzLtp
Name N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(2-ethoxyphenyl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.161328495 u
Formula C25H26N2O4S
InChI InChI=1S/C25H26N2O4S/c1-2-31-24-15-9-8-14-23(24)27(32(29,30)22-12-4-3-5-13-22)19-25(28)26-17-16-20-10-6-7-11-21(20)18-26/h3-15H,2,16-19H2,1H3
InChIKey LLBYHMBOUKCETP-UHFFFAOYSA-N
Molecular Weight 450.553 g/mol
SMILES C=1C=CC(S(N(CC(N2CC=3C(=CC=CC3)CC2)=O)C=2C(OCC)=CC=CC2)(=O)=O)=CC1