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N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
SpectraBase Compound ID 1X4aheJMdb8
InChI InChI=1S/C18H22N4O3S/c1-13-11-12-19-18(20-13)22-26(24,25)16-9-7-15(8-10-16)21-17(23)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,23)(H,19,20,22)
InChIKey RVDHPVQUTOZADM-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C18H22N4O3S
Exact Mass 374.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zXyTesTrUw
Name N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 374.141261755 u
Formula C18H22N4O3S
InChI InChI=1S/C18H22N4O3S/c1-13-11-12-19-18(20-13)22-26(24,25)16-9-7-15(8-10-16)21-17(23)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,23)(H,19,20,22)
InChIKey RVDHPVQUTOZADM-UHFFFAOYSA-N
Molecular Weight 374.459 g/mol
SMILES N(C(=O)C1CCCCC1)C=1C=CC(S(NC=2N=C(C)C=CN2)(=O)=O)=CC1