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N-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SpectraBase Compound ID KxyH8mkZ2Mu
InChI InChI=1S/C18H19Cl2N3O3S/c1-13(24)21-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)15-4-7-17(19)18(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKey LBXAIPSHVTVWNA-UHFFFAOYSA-N
Mol Weight 428.33 g/mol
Molecular Formula C18H19Cl2N3O3S
Exact Mass 427.052418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbxASII4BWO
Name N-[4-[4-(3,4-Dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.052418055 u
Formula C18H19Cl2N3O3S
InChI InChI=1S/C18H19Cl2N3O3S/c1-13(24)21-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)15-4-7-17(19)18(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKey LBXAIPSHVTVWNA-UHFFFAOYSA-N
Molecular Weight 428.334 g/mol
SMILES C1CN(C2=CC=C(C(=C2)Cl)Cl)CCN1S(C=1C=CC(NC(C)=O)=CC1)(=O)=O