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acetamide, N-[4-[[4-(3-chlorobenzoyl)-1-piperazinyl]sulfonyl]phenyl]-
SpectraBase Compound ID G8YgMYlniuM
InChI InChI=1S/C19H20ClN3O4S/c1-14(24)21-17-5-7-18(8-6-17)28(26,27)23-11-9-22(10-12-23)19(25)15-3-2-4-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKey INHULIMALPKFTB-UHFFFAOYSA-N
Mol Weight 421.9 g/mol
Molecular Formula C19H20ClN3O4S
Exact Mass 421.086305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vKGqUfbZ58
Name Acetamide, N-[4-[[4-(3-chlorobenzoyl)-1-piperazinyl]sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 421.086305006 u
Formula C19H20ClN3O4S
InChI InChI=1S/C19H20ClN3O4S/c1-14(24)21-17-5-7-18(8-6-17)28(26,27)23-11-9-22(10-12-23)19(25)15-3-2-4-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKey INHULIMALPKFTB-UHFFFAOYSA-N
Molecular Weight 421.899 g/mol
SMILES N(C(=O)C)C1=CC=C(S(N2CCN(C(C=3C=C(Cl)C=CC3)=O)CC2)(=O)=O)C=C1