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2-{cyclohexyl[(4-fluorophenyl)sulfonyl]amino}-N-(2,3-dimethylphenyl)acetamide

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2-{cyclohexyl[(4-fluorophenyl)sulfonyl]amino}-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID KTKwOAMsMKi
InChI InChI=1S/C22H27FN2O3S/c1-16-7-6-10-21(17(16)2)24-22(26)15-25(19-8-4-3-5-9-19)29(27,28)20-13-11-18(23)12-14-20/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H,24,26)
InChIKey XNGARBUFXNHAKE-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C22H27FN2O3S
Exact Mass 418.172642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrXohfd0WWH
Name 2-{Cyclohexyl[(4-fluorophenyl)sulfonyl]amino}-N-(2,3-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.172642071 u
Formula C22H27FN2O3S
InChI InChI=1S/C22H27FN2O3S/c1-16-7-6-10-21(17(16)2)24-22(26)15-25(19-8-4-3-5-9-19)29(27,28)20-13-11-18(23)12-14-20/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H,24,26)
InChIKey XNGARBUFXNHAKE-UHFFFAOYSA-N
Molecular Weight 418.527 g/mol
SMILES N(C(CN(C1CCCCC1)S(=O)(=O)C=1C=CC(=CC1)F)=O)C1=CC=CC(=C1C)C