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N-(1-Cyclohexylethyl)-2-oxo-2-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]acetamide

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N-(1-Cyclohexylethyl)-2-oxo-2-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]acetamide
SpectraBase Compound ID 3siEBdhkyE9
InChI InChI=1S/C25H28N2O4S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22(21-10-6-7-11-23(21)27)24(28)25(29)26-18(2)19-8-4-3-5-9-19/h6-7,10-16,18-19H,3-5,8-9H2,1-2H3,(H,26,29)
InChIKey WKNCEUJGGAJNGE-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TvhOUmbJ76
Name N-(1-Cyclohexylethyl)-2-oxo-2-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.176978560 u
Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22(21-10-6-7-11-23(21)27)24(28)25(29)26-18(2)19-8-4-3-5-9-19/h6-7,10-16,18-19H,3-5,8-9H2,1-2H3,(H,26,29)
InChIKey WKNCEUJGGAJNGE-UHFFFAOYSA-N
Molecular Weight 452.569 g/mol
SMILES C(C(C1=CN(C2=C1C=CC=C2)S(=O)(=O)C=1C=CC(=CC1)C)=O)(=O)NC(C)C1CCCCC1