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N-(2-butylaminoethyl)-5-(4-chlorophenylsulfonylamino)-1-phenyl-1H-pyrazole-4-carboxamide

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N-(2-butylaminoethyl)-5-(4-chlorophenylsulfonylamino)-1-phenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID LVZe2mMAYGP
InChI InChI=1S/C22H26ClN5O3S/c1-2-3-13-24-14-15-25-22(29)20-16-26-28(18-7-5-4-6-8-18)21(20)27-32(30,31)19-11-9-17(23)10-12-19/h4-12,16,24,27H,2-3,13-15H2,1H3,(H,25,29)
InChIKey HDHMMMWHQKFFPQ-UHFFFAOYSA-N
Mol Weight 476.0 g/mol
Molecular Formula C22H26ClN5O3S
Exact Mass 475.144489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTPh8yI96dw
Name N-(2-Butylaminoethyl)-5-(4-chlorophenylsulfonylamino)-1-phenyl-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.144488588 u
Formula C22H26ClN5O3S
InChI InChI=1S/C22H26ClN5O3S/c1-2-3-13-24-14-15-25-22(29)20-16-26-28(18-7-5-4-6-8-18)21(20)27-32(30,31)19-11-9-17(23)10-12-19/h4-12,16,24,27H,2-3,13-15H2,1H3,(H,25,29)
InChIKey HDHMMMWHQKFFPQ-UHFFFAOYSA-N
Molecular Weight 475.995 g/mol
SMILES C1=NN(C(=C1C(=O)NCCNCCCC)NS(=O)(=O)C=1C=CC(=CC1)Cl)C=1C=CC=CC1