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Benzamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-3-[[[3-(dodecylmethylamino)phenyl]amino]sulfonyl]-
SpectraBase Compound ID LdIOqMwLmCS
InChI InChI=1S/C35H45N5O4S/c1-3-4-5-6-7-8-9-10-11-15-24-39(2)31-22-17-19-29(26-31)38-45(43,44)32-23-16-18-28(25-32)35(42)36-33-27-34(41)40(37-33)30-20-13-12-14-21-30/h12-14,16-23,25-26,38H,3-11,15,24,27H2,1-2H3,(H,36,37,42)
InChIKey CDLGKEUKPKTPJM-UHFFFAOYSA-N
Mol Weight 631.8 g/mol
Molecular Formula C35H45N5O4S
Exact Mass 631.319226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYkafxWlc8X
Name Benzamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-3-[[[3-(dodecylmethylamino)phenyl]amino]sulfonyl]-
Alternate Name(s) 3-(N-(3-(dodecyl(methyl)amino)phenyl)sulfamoyl)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide 3-({3-[dodecyl(methyl)amino]phenyl}sulfamoyl)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide 3-[[3-[dodecyl(methyl)amino]phenyl]sulfamoyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide 3-[[3-[dodecyl(methyl)amino]phenyl]sulfamoyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H45N5O4S
InChI InChI=1S/C35H45N5O4S/c1-3-4-5-6-7-8-9-10-11-15-24-39(2)31-22-17-19-29(26-31)38-45(43,44)32-23-16-18-28(25-32)35(42)36-33-27-34(41)40(37-33)30-20-13-12-14-21-30/h12-14,16-23,25-26,38H,3-11,15,24,27H2,1-2H3,(H,36,37,42)
InChIKey CDLGKEUKPKTPJM-UHFFFAOYSA-N
Molecular Weight 631.836 g/mol
SMILES N(c1cccc(N(CCCCCCCCCCCC)C)c1)S(c1cccc(C(=O)NC2=NN(C(=O)C2)c2ccccc2)c1)(=O)=O
SPLASH splash10-017r-6924200000-fdfa5f141799ee68fa74
Source of Spectrum JX-2015-4-1359
Wiley ID 1726747