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3-Bromo-1-phenylsulfonyl-2-[2-(benzoimidazolidino)sulfinylmethyl]indole
SpectraBase Compound ID 4P4UqRsZXdE
InChI InChI=1S/C22H16BrN3O3S2/c23-21-16-10-4-7-13-19(16)26(31(28,29)15-8-2-1-3-9-15)20(21)14-30(27)22-24-17-11-5-6-12-18(17)25-22/h1-13H,14H2,(H,24,25)
InChIKey VKBDGHKLBFBWFB-UHFFFAOYSA-N
Mol Weight 514.41 g/mol
Molecular Formula C22H16BrN3O3S2
Exact Mass 512.981647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3cp6LG1IYa
Name 3-Bromo-1-phenylsulfonyl-2-[2-(benzoimidazolidino)sulfinylmethyl]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrN3O3S2
InChI InChI=1S/C22H16BrN3O3S2/c23-21-16-10-4-7-13-19(16)26(31(28,29)15-8-2-1-3-9-15)20(21)14-30(27)22-24-17-11-5-6-12-18(17)25-22/h1-13H,14H2,(H,24,25)
InChIKey VKBDGHKLBFBWFB-UHFFFAOYSA-N
Molecular Weight 514.412 g/mol
SMILES [nH]1c2ccccc2nc1S(Cc1[n](S(=O)(=O)c2ccccc2)c2c(cccc2)c1Br)=O
SPLASH splash10-0005-0641900000-d4d9f07721bbbb861aa4
Source of Spectrum Y1-46-4233-2
Synonyms 2-[[1-(benzenesulfonyl)-3-bromo-2-indolyl]methylsulfinyl]-1H-benzimidazole 2-[[1-(benzenesulfonyl)-3-bromoindol-2-yl]methylsulfinyl]-1H-benzimidazole 2-[[1-(benzenesulfonyl)-3-bromo-indol-2-yl]methylsulfinyl]-1H-benzimidazole 2-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methylsulfinyl]-1H-benzimidazole
Wiley ID 1622512