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3-Methyl-3-{3-[N-(phenylsulfonyl)-N-[1-(methoxycarbonyl)-2-(2-indolyl)ethyl]amino]-2-methylenepropyl}-2,3-dihydrobenzofuran
SpectraBase Compound ID A5lebXw2icE
InChI InChI=1S/C31H32N2O5S/c1-22(19-31(2)21-38-29-16-10-8-14-26(29)31)20-33(39(35,36)25-12-5-4-6-13-25)28(30(34)37-3)18-24-17-23-11-7-9-15-27(23)32-24/h4-17,28,32H,1,18-21H2,2-3H3
InChIKey KICSIZGGGAYHIJ-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H32N2O5S
Exact Mass 544.203193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kwVW8xV68e
Name 3-Methyl-3-{3-[N-(phenylsulfonyl)-N-[1-(methoxycarbonyl)-2-(2-indolyl)ethyl]amino]-2-methylenepropyl}-2,3-dihydrobenzofuran
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Formula C31H32N2O5S
InChI InChI=1S/C31H32N2O5S/c1-22(19-31(2)21-38-29-16-10-8-14-26(29)31)20-33(39(35,36)25-12-5-4-6-13-25)28(30(34)37-3)18-24-17-23-11-7-9-15-27(23)32-24/h4-17,28,32H,1,18-21H2,2-3H3
InChIKey KICSIZGGGAYHIJ-UHFFFAOYSA-N
Molecular Weight 544.666 g/mol
SMILES [nH]1c2ccccc2cc1CC(N(CC(CC1(COc2c1cccc2)C)=C)S(=O)(=O)c1ccccc1)C(=O)OC
SPLASH splash10-001i-0930000000-e65cd7f9dd3d3638d2e7
Source of Spectrum F-57-614-12
Synonyms Methyl 3-(1H-indol-2-yl)-2-[{2-[(3-methyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-2-propenyl}(phenylsulfonyl)amino]propanoate
Wiley ID 1549312