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N-[4-(4-methylphenyl)]-4-morpholinosulfonylbenzamide

View entire compound with spectra: 2 NMR

N-[4-(4-methylphenyl)]-4-morpholinosulfonylbenzamide
SpectraBase Compound ID IBX6PtsykY6
InChI InChI=1S/C21H21N3O4S2/c1-15-2-4-16(5-3-15)19-14-29-21(22-19)23-20(25)17-6-8-18(9-7-17)30(26,27)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKey YQUVZHWYCUMFTI-UHFFFAOYSA-N
Mol Weight 443.54 g/mol
Molecular Formula C21H21N3O4S2
Exact Mass 443.097349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVSSCFxmVgF
Name N-[4-(4-Methylphenyl)]-4-morpholinosulfonylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 443.097348512 u
Formula C21H21N3O4S2
InChI InChI=1S/C21H21N3O4S2/c1-15-2-4-16(5-3-15)19-14-29-21(22-19)23-20(25)17-6-8-18(9-7-17)30(26,27)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKey YQUVZHWYCUMFTI-UHFFFAOYSA-N
Molecular Weight 443.536 g/mol
SMILES N(C1=NC(c2ccc(cc2)C)=CS1)C(c1ccc(S(N2CCOCC2)(=O)=O)cc1)=O