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N-{4-Butyl-2-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}benzenesulfonamide
SpectraBase Compound ID Db2eS5ZkmVM
InChI InChI=1S/C21H24N2O4S2/c1-3-4-8-17-15-22-21(28(24,25)18-13-11-16(2)12-14-18)20(17)23-29(26,27)19-9-6-5-7-10-19/h5-7,9-15,22-23H,3-4,8H2,1-2H3
InChIKey PVXNGEVSASZDKV-UHFFFAOYSA-N
Mol Weight 432.55 g/mol
Molecular Formula C21H24N2O4S2
Exact Mass 432.11775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8E8jNcxQjU
Name N-{4-Butyl-2-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}benzenesulfonamide
Alternate Name(s) N-(4-butyl-2-tosyl-1H-pyrrol-3-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4S2
InChI InChI=1S/C21H24N2O4S2/c1-3-4-8-17-15-22-21(28(24,25)18-13-11-16(2)12-14-18)20(17)23-29(26,27)19-9-6-5-7-10-19/h5-7,9-15,22-23H,3-4,8H2,1-2H3
InChIKey PVXNGEVSASZDKV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200597
Molecular Weight 432.553 g/mol
SMILES [nH]1cc(c(c1S(=O)(=O)c1ccc(cc1)C)NS(=O)(=O)c1ccccc1)CCCC
SPLASH splash10-054o-9700000000-9949080a839d1b7b1241
Source of Spectrum H-96-2101-4h
Wiley ID 1784595