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4-Methyl-N-(2-(5-((4-methylphenyl)sulfonamido)-1H-indole-1-carbonyl)phenyl)benzenesulfonamide
SpectraBase Compound ID IeVBvUXHajq
InChI InChI=1S/C29H25N3O5S2/c1-20-7-12-24(13-8-20)38(34,35)30-23-11-16-28-22(19-23)17-18-32(28)29(33)26-5-3-4-6-27(26)31-39(36,37)25-14-9-21(2)10-15-25/h3-19,30-31H,1-2H3
InChIKey BWZNGYOAKQMKTO-UHFFFAOYSA-N
Mol Weight 559.66 g/mol
Molecular Formula C29H25N3O5S2
Exact Mass 559.123563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPVyoD4wKr5
Name 4-Methyl-N-(2-(5-((4-methylphenyl)sulfonamido)-1H-indole-1-carbonyl)phenyl)benzenesulfonamide
Appearance Gray solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N3O5S2
InChI InChI=1S/C29H25N3O5S2/c1-20-7-12-24(13-8-20)38(34,35)30-23-11-16-28-22(19-23)17-18-32(28)29(33)26-5-3-4-6-27(26)31-39(36,37)25-14-9-21(2)10-15-25/h3-19,30-31H,1-2H3
InChIKey BWZNGYOAKQMKTO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/adsc.202100290
Molecular Weight 559.655 g/mol
Reported Formula C29H25N3O5S2
SMILES N(c1ccccc1C([n]1c2c(cc(cc2)NS(c2ccc(cc2)C)(=O)=O)cc1)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-0030390000-00a18c5ddadf37025247
Source of Spectrum ASC-363-SM21-5c
Thin-Layer Chromatography Rf = 0.13 (n-pentane/ethyl acetate, 2:1)
Wiley ID 1851202