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2-thiophenesulfonamide, N-[2-[3,5-dioxo-4-(2-phenylethyl)-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-
SpectraBase Compound ID 8GlOIBPcwNk
InChI InChI=1S/C25H25N3O5S2/c29-22-17-27(18-23(30)28(22)14-13-19-8-3-1-4-9-19)25(31)21(16-20-10-5-2-6-11-20)26-35(32,33)24-12-7-15-34-24/h1-12,15,21,26H,13-14,16-18H2
InChIKey YYUVHPGWOFJEGK-UHFFFAOYSA-N
Mol Weight 511.61 g/mol
Molecular Formula C25H25N3O5S2
Exact Mass 511.123563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQTHhJ7Ikg2
Name 2-Thiophenesulfonamide, N-[2-[3,5-dioxo-4-(2-phenylethyl)-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.123563260 u
Formula C25H25N3O5S2
InChI InChI=1S/C25H25N3O5S2/c29-22-17-27(18-23(30)28(22)14-13-19-8-3-1-4-9-19)25(31)21(16-20-10-5-2-6-11-20)26-35(32,33)24-12-7-15-34-24/h1-12,15,21,26H,13-14,16-18H2
InChIKey YYUVHPGWOFJEGK-UHFFFAOYSA-N
Molecular Weight 511.611 g/mol
SMILES N(C(C(N1CC(=O)N(C(C1)=O)CCC1=CC=CC=C1)=O)CC=1C=CC=CC1)S(C=1SC=CC1)(=O)=O