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1-piperazineacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[[4-(1-methylethyl)phenyl]sulfonyl]-

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1-piperazineacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[[4-(1-methylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 6UlRBvLIJqs
InChI InChI=1S/C22H25ClF3N3O3S/c1-15(2)16-3-6-18(7-4-16)33(31,32)29-11-9-28(10-12-29)14-21(30)27-20-13-17(22(24,25)26)5-8-19(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,27,30)
InChIKey SNAFSHDGXCAMJZ-UHFFFAOYSA-N
Mol Weight 503.97 g/mol
Molecular Formula C22H25ClF3N3O3S
Exact Mass 503.125725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XoCC8DeY4M
Name 1-Piperazineacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[[4-(1-methylethyl)phenyl]sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.125725037 u
Formula C22H25ClF3N3O3S
InChI InChI=1S/C22H25ClF3N3O3S/c1-15(2)16-3-6-18(7-4-16)33(31,32)29-11-9-28(10-12-29)14-21(30)27-20-13-17(22(24,25)26)5-8-19(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,27,30)
InChIKey SNAFSHDGXCAMJZ-UHFFFAOYSA-N
Molecular Weight 503.968 g/mol
SMILES N(C=1C=C(C(F)(F)F)C=CC1Cl)C(CN1CCN(S(C2=CC=C(C=C2)C(C)C)(=O)=O)CC1)=O