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benzamide, 4-[[(4-chlorophenyl)methyl](methylsulfonyl)amino]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
SpectraBase Compound ID HxTK99fefdh
InChI InChI=1S/C26H25ClN4O4S/c1-18-24(26(33)31(29(18)2)23-7-5-4-6-8-23)28-25(32)20-11-15-22(16-12-20)30(36(3,34)35)17-19-9-13-21(27)14-10-19/h4-16H,17H2,1-3H3,(H,28,32)
InChIKey MQOFLLLOYFFVOP-UHFFFAOYSA-N
Mol Weight 525.02 g/mol
Molecular Formula C26H25ClN4O4S
Exact Mass 524.128504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Z95toVrE1a
Name Benzamide, 4-[[(4-chlorophenyl)methyl](methylsulfonyl)amino]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.128504171 u
Formula C26H25ClN4O4S
InChI InChI=1S/C26H25ClN4O4S/c1-18-24(26(33)31(29(18)2)23-7-5-4-6-8-23)28-25(32)20-11-15-22(16-12-20)30(36(3,34)35)17-19-9-13-21(27)14-10-19/h4-16H,17H2,1-3H3,(H,28,32)
InChIKey MQOFLLLOYFFVOP-UHFFFAOYSA-N
Molecular Weight 525.023 g/mol
SMILES N(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C(C=1C=CC(N(S(=O)(=O)C)CC=2C=CC(=CC2)Cl)=CC1)=O