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5-Bromo-3-[3-(toluene-4-sulfonylamino)prop-1-ynyl]indazole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 1LNFt2iSjlI
InChI InChI=1S/C22H22BrN3O4S/c1-15-7-10-17(11-8-15)31(28,29)24-13-5-6-19-18-14-16(23)9-12-20(18)26(25-19)21(27)30-22(2,3)4/h7-12,14,24H,13H2,1-4H3
InChIKey AIGULVMGZXGRAP-UHFFFAOYSA-N
Mol Weight 504.4 g/mol
Molecular Formula C22H22BrN3O4S
Exact Mass 503.05144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Il03lZ16Mm
Name 5-Bromo-3-[3-(toluene-4-sulfonylamino)prop-1-ynyl]indazole-1-carboxylic acid tert-butyl ester
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Formula C22H22BrN3O4S
InChI InChI=1S/C22H22BrN3O4S/c1-15-7-10-17(11-8-15)31(28,29)24-13-5-6-19-18-14-16(23)9-12-20(18)26(25-19)21(27)30-22(2,3)4/h7-12,14,24H,13H2,1-4H3
InChIKey AIGULVMGZXGRAP-UHFFFAOYSA-N
Molecular Weight 504.399 g/mol
SMILES N(CC#Cc1n[n](c2c1cc(cc2)Br)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0f6w-2190000000-9f73e9ff3c7eb50beb8f
Source of Spectrum C5-2005-776-5
Synonyms tert-Butyl 5-bromo-3-(3-{[(4-methylphenyl)sulfonyl]amino}-1-propynyl)-1H-indazole-1-carboxylate
Wiley ID 1618268