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3-piperidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-[(4-chlorophenyl)methyl]-

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3-piperidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-[(4-chlorophenyl)methyl]-
SpectraBase Compound ID C4Xk2qHVaAL
InChI InChI=1S/C21H24ClN3O4S/c1-15(26)24-19-8-10-20(11-9-19)30(28,29)25-12-2-3-17(14-25)21(27)23-13-16-4-6-18(22)7-5-16/h4-11,17H,2-3,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKey YAVRCXLWMLMNQU-UHFFFAOYSA-N
Mol Weight 449.95 g/mol
Molecular Formula C21H24ClN3O4S
Exact Mass 449.117605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EanQwd1IcCO
Name 3-Piperidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-[(4-chlorophenyl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.117605135 u
Formula C21H24ClN3O4S
InChI InChI=1S/C21H24ClN3O4S/c1-15(26)24-19-8-10-20(11-9-19)30(28,29)25-12-2-3-17(14-25)21(27)23-13-16-4-6-18(22)7-5-16/h4-11,17H,2-3,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKey YAVRCXLWMLMNQU-UHFFFAOYSA-N
Molecular Weight 449.953 g/mol
SMILES N(C(=O)C)C1=CC=C(S(N2CC(C(NCC=3C=CC(=CC3)Cl)=O)CCC2)(=O)=O)C=C1