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1-piperazineacetamide, 4-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(2,4-difluorophenyl)-
SpectraBase Compound ID 2dPEaB7Rsw3
InChI InChI=1S/C19H20ClF2N3O4S/c1-29-17-5-2-13(20)10-18(17)30(27,28)25-8-6-24(7-9-25)12-19(26)23-16-4-3-14(21)11-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKey AXMHHFQCXLGTCE-UHFFFAOYSA-N
Mol Weight 459.9 g/mol
Molecular Formula C19H20ClF2N3O4S
Exact Mass 459.083111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUULgSgZN2T
Name 1-Piperazineacetamide, 4-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(2,4-difluorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 459.083111332 u
Formula C19H20ClF2N3O4S
InChI InChI=1S/C19H20ClF2N3O4S/c1-29-17-5-2-13(20)10-18(17)30(27,28)25-8-6-24(7-9-25)12-19(26)23-16-4-3-14(21)11-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKey AXMHHFQCXLGTCE-UHFFFAOYSA-N
Molecular Weight 459.896 g/mol
SMILES N(C(CN1CCN(S(C=2C=C(Cl)C=CC2OC)(=O)=O)CC1)=O)C1=C(C=C(C=C1)F)F