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N-[3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]-5-indolyl]prop-2-ynyl]-4-methylbenzenesulfonamide
SpectraBase Compound ID GandkcIgpdF
InChI InChI=1S/C29H27N3O4S2/c1-23-13-16-26(17-14-23)37(33,34)30-19-7-9-24-15-18-29-28(21-24)25(10-8-20-31(2)3)22-32(29)38(35,36)27-11-5-4-6-12-27/h4-6,11-18,21-22,30H,19-20H2,1-3H3
InChIKey HPZRVKUFAZCLMN-UHFFFAOYSA-N
Mol Weight 545.67 g/mol
Molecular Formula C29H27N3O4S2
Exact Mass 545.144299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5eQyOXaPac
Name N-[3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]-5-indolyl]prop-2-ynyl]-4-methylbenzenesulfonamide
Comments Edited after expert review for DOP contamination - Original record with SpectrumID 1618265 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N3O4S2
InChI InChI=1S/C29H27N3O4S2/c1-23-13-16-26(17-14-23)37(33,34)30-19-7-9-24-15-18-29-28(21-24)25(10-8-20-31(2)3)22-32(29)38(35,36)27-11-5-4-6-12-27/h4-6,11-18,21-22,30H,19-20H2,1-3H3
InChIKey HPZRVKUFAZCLMN-UHFFFAOYSA-N
Molecular Weight 545.672 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CC#Cc1cc2c(c[n](c2cc1)S(=O)(=O)c1ccccc1)C#CCN(C)C
SPLASH splash10-02vi-1490000000-9c689d6a677e542ae31f
Source of Spectrum C5-2005-777-7
Synonyms N-[3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]indol-5-yl]prop-2-ynyl]-4-methyl-benzenesulfonamide N-[3-[1-besyl-3-[3-(dimethylamino)prop-1-ynyl]indol-5-yl]prop-2-ynyl]-4-methyl-benzenesulfonamide N-[3-[3-[3-(dimethylamino)prop-1-ynyl]-1-(phenylsulfonyl)indol-5-yl]prop-2-ynyl]-4-methyl-benzenesulfonamide
Wiley ID 1821498