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4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-phenyl-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-phenyl-benzamide
SpectraBase Compound ID Ias7keylsPg
InChI InChI=1S/C20H17ClN2O3S/c1-23(27(25,26)19-13-9-16(21)10-14-19)18-11-7-15(8-12-18)20(24)22-17-5-3-2-4-6-17/h2-14H,1H3,(H,22,24)
InChIKey OHZPXUFSNWHFNX-UHFFFAOYSA-N
Mol Weight 400.88 g/mol
Molecular Formula C20H17ClN2O3S
Exact Mass 400.064841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TE7JaZ3Ix9
Name 4-[(4-Chlorophenyl)sulfonyl-methyl-amino]-N-phenyl-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 400.064841286 u
Formula C20H17ClN2O3S
InChI InChI=1S/C20H17ClN2O3S/c1-23(27(25,26)19-13-9-16(21)10-14-19)18-11-7-15(8-12-18)20(24)22-17-5-3-2-4-6-17/h2-14H,1H3,(H,22,24)
InChIKey OHZPXUFSNWHFNX-UHFFFAOYSA-N
Molecular Weight 400.880 g/mol
SMILES C=1C=CC(NC(C2=CC=C(N(S(C=3C=CC(=CC3)Cl)(=O)=O)C)C=C2)=O)=CC1