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2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

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2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SpectraBase Compound ID 5MrqIvcwRW
InChI InChI=1S/C21H25N3O4S/c25-21(16-23-10-9-17-3-1-2-4-18(17)15-23)22-19-5-7-20(8-6-19)29(26,27)24-11-13-28-14-12-24/h1-8H,9-16H2,(H,22,25)
InChIKey YWWFUCIEWANZLM-UHFFFAOYSA-N
Mol Weight 415.51 g/mol
Molecular Formula C21H25N3O4S
Exact Mass 415.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIBucGGXRiT
Name 2-(3,4-Dihydro-1H-isoquinolin-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.156577467 u
Formula C21H25N3O4S
InChI InChI=1S/C21H25N3O4S/c25-21(16-23-10-9-17-3-1-2-4-18(17)15-23)22-19-5-7-20(8-6-19)29(26,27)24-11-13-28-14-12-24/h1-8H,9-16H2,(H,22,25)
InChIKey YWWFUCIEWANZLM-UHFFFAOYSA-N
Molecular Weight 415.508 g/mol
SMILES C1COCCN1S(=O)(=O)C=1C=CC(=CC1)NC(CN1CCC2=C(C1)C=CC=C2)=O