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Benzenesulfonamide, 2-chloro-N-[[[4-(4-cyanophenoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]-
SpectraBase Compound ID 7FvFHL2bPHD
InChI InChI=1S/C19H14ClN5O4S/c1-12-10-17(29-14-8-6-13(11-21)7-9-14)23-18(22-12)24-19(26)25-30(27,28)16-5-3-2-4-15(16)20/h2-10H,1H3,(H2,22,23,24,25,26)
InChIKey UQVWDJXBMFGWFA-UHFFFAOYSA-N
Mol Weight 443.87 g/mol
Molecular Formula C19H14ClN5O4S
Exact Mass 443.045503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1T0acNBhhPt
Name Benzenesulfonamide, 2-chloro-N-[[[4-(4-cyanophenoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.045502821 u
Formula C19H14ClN5O4S
InChI InChI=1S/C19H14ClN5O4S/c1-12-10-17(29-14-8-6-13(11-21)7-9-14)23-18(22-12)24-19(26)25-30(27,28)16-5-3-2-4-15(16)20/h2-10H,1H3,(H2,22,23,24,25,26)
InChIKey UQVWDJXBMFGWFA-UHFFFAOYSA-N
Molecular Weight 443.865 g/mol
SMILES N(C=1N=C(C=C(N1)OC1=CC=C(C=C1)C#N)C)C(NS(=O)(=O)C1=C(Cl)C=CC=C1)=O