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4-chloro-1-ethyl-N-{4-[(4-methoxyanilino)sulfonyl]phenyl}-1H-pyrazole-5-carboxamide
SpectraBase Compound ID B84sjkFoWNd
InChI InChI=1S/C19H19ClN4O4S/c1-3-24-18(17(20)12-21-24)19(25)22-13-6-10-16(11-7-13)29(26,27)23-14-4-8-15(28-2)9-5-14/h4-12,23H,3H2,1-2H3,(H,22,25)
InChIKey KNFCYVNFKBKBGN-UHFFFAOYSA-N
Mol Weight 434.9 g/mol
Molecular Formula C19H19ClN4O4S
Exact Mass 434.081554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GXDwTDJwUd
Name 4-Chloro-1-ethyl-N-{4-[(4-methoxyanilino)sulfonyl]phenyl}-1H-pyrazole-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.081553978 u
Formula C19H19ClN4O4S
InChI InChI=1S/C19H19ClN4O4S/c1-3-24-18(17(20)12-21-24)19(25)22-13-6-10-16(11-7-13)29(26,27)23-14-4-8-15(28-2)9-5-14/h4-12,23H,3H2,1-2H3,(H,22,25)
InChIKey KNFCYVNFKBKBGN-UHFFFAOYSA-N
Molecular Weight 434.898 g/mol
SMILES N(C(C=1N(N=CC1Cl)CC)=O)C=1C=CC(S(NC2=CC=C(C=C2)OC)(=O)=O)=CC1