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2-Oxo-N-(1-phenylethyl)-2-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]acetamide
SpectraBase Compound ID 4ljdzPffOhJ
InChI InChI=1S/C25H22N2O4S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22(21-10-6-7-11-23(21)27)24(28)25(29)26-18(2)19-8-4-3-5-9-19/h3-16,18H,1-2H3,(H,26,29)
InChIKey IQXSDEKKAVOURL-UHFFFAOYSA-N
Mol Weight 446.52 g/mol
Molecular Formula C25H22N2O4S
Exact Mass 446.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7S7A2zccZIN
Name 2-oxo-N-(1-Phenylethyl)-2-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 446.130028366 u
Formula C25H22N2O4S
InChI InChI=1S/C25H22N2O4S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22(21-10-6-7-11-23(21)27)24(28)25(29)26-18(2)19-8-4-3-5-9-19/h3-16,18H,1-2H3,(H,26,29)
InChIKey IQXSDEKKAVOURL-UHFFFAOYSA-N
Molecular Weight 446.521 g/mol
SMILES C(C(C1=CN(C2=C1C=CC=C2)S(=O)(=O)C=1C=CC(=CC1)C)=O)(=O)NC(C)C=1C=CC=CC1