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cyclohexanecarboxamide, N-(4-hydroxyphenyl)-4-[[[(4-methoxyphenyl)sulfonyl]amino]methyl]-
SpectraBase Compound ID J9eXZGsroxQ
InChI InChI=1S/C21H26N2O5S/c1-28-19-10-12-20(13-11-19)29(26,27)22-14-15-2-4-16(5-3-15)21(25)23-17-6-8-18(24)9-7-17/h6-13,15-16,22,24H,2-5,14H2,1H3,(H,23,25)
InChIKey XJRRXBDMXXVXBX-UHFFFAOYSA-N
Mol Weight 418.51 g/mol
Molecular Formula C21H26N2O5S
Exact Mass 418.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5H6VezNphws
Name Cyclohexanecarboxamide, N-(4-hydroxyphenyl)-4-[[[(4-methoxyphenyl)sulfonyl]amino]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 418.156243114 u
Formula C21H26N2O5S
InChI InChI=1S/C21H26N2O5S/c1-28-19-10-12-20(13-11-19)29(26,27)22-14-15-2-4-16(5-3-15)21(25)23-17-6-8-18(24)9-7-17/h6-13,15-16,22,24H,2-5,14H2,1H3,(H,23,25)
InChIKey XJRRXBDMXXVXBX-UHFFFAOYSA-N
Molecular Weight 418.508 g/mol
SMILES N(S(C=1C=CC(=CC1)OC)(=O)=O)CC1CCC(C(NC=2C=CC(=CC2)O)=O)CC1