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5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-[(ethylamino)sulfonyl]phenyl}-2-furamide
SpectraBase Compound ID JNQqpY2c5n4
InChI InChI=1S/C19H22N4O4S/c1-4-20-28(25,26)17-8-5-15(6-9-17)21-19(24)18-10-7-16(27-18)12-23-14(3)11-13(2)22-23/h5-11,20H,4,12H2,1-3H3,(H,21,24)
InChIKey AVEBPTNPJPLARC-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C19H22N4O4S
Exact Mass 402.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ej2LfEWkdV
Name 5-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-[(ethylamino)sulfonyl]phenyl}-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 402.136176374 u
Formula C19H22N4O4S
InChI InChI=1S/C19H22N4O4S/c1-4-20-28(25,26)17-8-5-15(6-9-17)21-19(24)18-10-7-16(27-18)12-23-14(3)11-13(2)22-23/h5-11,20H,4,12H2,1-3H3,(H,21,24)
InChIKey AVEBPTNPJPLARC-UHFFFAOYSA-N
Molecular Weight 402.469 g/mol
SMILES N(C1=CC=C(S(=O)(=O)NCC)C=C1)C(C=1OC(CN2N=C(C)C=C2C)=CC1)=O