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3-Methyl-3-{3-[N-(phenylsulfonyl)-N-[1-(methoxycarbonyl)-2-(1-phenylsulfonylimidazol-2-yl)ethyl]amino]-2-methylenepropyl}-2,3-dihydrobenzofuran
SpectraBase Compound ID 1r6AL0mq2gA
InChI InChI=1S/C32H33N3O7S2/c1-24(21-32(2)23-42-29-17-11-10-16-27(29)32)22-35(44(39,40)26-14-8-5-9-15-26)28(31(36)41-3)20-30-33-18-19-34(30)43(37,38)25-12-6-4-7-13-25/h4-19,28H,1,20-23H2,2-3H3
InChIKey GRHKOGOGAVIFHZ-UHFFFAOYSA-N
Mol Weight 635.8 g/mol
Molecular Formula C32H33N3O7S2
Exact Mass 635.175993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQaWDhqi5Di
Name 3-Methyl-3-{3-[N-(phenylsulfonyl)-N-[1-(methoxycarbonyl)-2-(1-phenylsulfonylimidazol-2-yl)ethyl]amino]-2-methylenepropyl}-2,3-dihydrobenzofuran
Alternate Name(s) Methyl 2-[{2-[(3-methyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-2-propenyl}(phenylsulfonyl)amino]-3-[1-(phenylsulfonyl)-1H-imidazol-2-yl]propanoate
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Formula C32H33N3O7S2
InChI InChI=1S/C32H33N3O7S2/c1-24(21-32(2)23-42-29-17-11-10-16-27(29)32)22-35(44(39,40)26-14-8-5-9-15-26)28(31(36)41-3)20-30-33-18-19-34(30)43(37,38)25-12-6-4-7-13-25/h4-19,28H,1,20-23H2,2-3H3
InChIKey GRHKOGOGAVIFHZ-UHFFFAOYSA-N
Molecular Weight 635.750 g/mol
SMILES C1Oc2c(C1(CC(CN(C(Cc1ncc[n]1S(=O)(=O)c1ccccc1)C(=O)OC)S(=O)(=O)c1ccccc1)=C)C)cccc2
SPLASH splash10-003u-8920000000-507c5c9f8b83e3d3068d
Source of Spectrum F-57-613-12
Wiley ID 1549315