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3-Pyridinecarboxamide, 2-chloro-N-[2-[4-(methylsulfonyl)-1-piperazinyl]phenyl]-
SpectraBase Compound ID AYgUjUUIQbW
InChI InChI=1S/C17H19ClN4O3S/c1-26(24,25)22-11-9-21(10-12-22)15-7-3-2-6-14(15)20-17(23)13-5-4-8-19-16(13)18/h2-8H,9-12H2,1H3,(H,20,23)
InChIKey XXFDTYAYGQDKLM-UHFFFAOYSA-N
Mol Weight 394.88 g/mol
Molecular Formula C17H19ClN4O3S
Exact Mass 394.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyXvQTxLgWW
Name 3-Pyridinecarboxamide, 2-chloro-N-[2-[4-(methylsulfonyl)-1-piperazinyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN4O3S
InChI InChI=1S/C17H19ClN4O3S/c1-26(24,25)22-11-9-21(10-12-22)15-7-3-2-6-14(15)20-17(23)13-5-4-8-19-16(13)18/h2-8H,9-12H2,1H3,(H,20,23)
InChIKey XXFDTYAYGQDKLM-UHFFFAOYSA-N
Molecular Weight 394.877 g/mol
SMILES N(c1ccccc1N1CCN(CC1)S(C)(=O)=O)C(=O)c1c(nccc1)Cl
SPLASH splash10-05mo-5900000000-c0744445803a72e7ea10
Source of Spectrum IY-1-4577-8
Synonyms 2-Chloro-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-pyridinecarboxamide 2-Chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide 2-Chloranyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
Wiley ID 1653761