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5-(4-Chlorophenylsulfonylamino)-N-(3-methoxypropyl)-1-phenyl-1H-pyrazole-4-carboxamide

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

5-(4-Chlorophenylsulfonylamino)-N-(3-methoxypropyl)-1-phenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID CCzYNOb29VZ
InChI InChI=1S/C20H21ClN4O4S/c1-29-13-5-12-22-20(26)18-14-23-25(16-6-3-2-4-7-16)19(18)24-30(27,28)17-10-8-15(21)9-11-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,26)
InChIKey HRZQZGRIIXTZBX-UHFFFAOYSA-N
Mol Weight 448.93 g/mol
Molecular Formula C20H21ClN4O4S
Exact Mass 448.097204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAG9foX5bt6
Name 5-(4-Chlorophenylsulfonylamino)-N-(3-methoxypropyl)-1-phenyl-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.097204042 u
Formula C20H21ClN4O4S
InChI InChI=1S/C20H21ClN4O4S/c1-29-13-5-12-22-20(26)18-14-23-25(16-6-3-2-4-7-16)19(18)24-30(27,28)17-10-8-15(21)9-11-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,26)
InChIKey HRZQZGRIIXTZBX-UHFFFAOYSA-N
Molecular Weight 448.925 g/mol
SMILES C1=NN(C(=C1C(=O)NCCCOC)NS(=O)(=O)C=1C=CC(=CC1)Cl)C=1C=CC=CC1