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1-piperazineacetamide, 4-[(2,5-dichlorophenyl)sulfonyl]-N-(2-methoxyphenyl)-
SpectraBase Compound ID 8TcXTZEkS3l
InChI InChI=1S/C19H21Cl2N3O4S/c1-28-17-5-3-2-4-16(17)22-19(25)13-23-8-10-24(11-9-23)29(26,27)18-12-14(20)6-7-15(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKey SWEYDURXHJMELB-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C19H21Cl2N3O4S
Exact Mass 457.062983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8xbfkfdaKq
Name 1-Piperazineacetamide, 4-[(2,5-dichlorophenyl)sulfonyl]-N-(2-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.062982738 u
Formula C19H21Cl2N3O4S
InChI InChI=1S/C19H21Cl2N3O4S/c1-28-17-5-3-2-4-16(17)22-19(25)13-23-8-10-24(11-9-23)29(26,27)18-12-14(20)6-7-15(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKey SWEYDURXHJMELB-UHFFFAOYSA-N
Molecular Weight 458.360 g/mol
SMILES N(C(CN1CCN(S(C=2C=C(Cl)C=CC2Cl)(=O)=O)CC1)=O)C1=C(OC)C=CC=C1