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N,1-dibenzoyl-N-(phenylsulfonyl)-5-amino-7-(benzyloxy)-3-methylindole
SpectraBase Compound ID 8M9Oqv9CnHb
InChI InChI=1S/C36H28N2O5S/c1-26-24-37(35(39)28-16-8-3-9-17-28)34-32(26)22-30(23-33(34)43-25-27-14-6-2-7-15-27)38(36(40)29-18-10-4-11-19-29)44(41,42)31-20-12-5-13-21-31/h2-24H,25H2,1H3
InChIKey DOYJTADNBXXWPH-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C36H28N2O5S
Exact Mass 600.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pyDZQpLZDZ
Name N,1-dibenzoyl-N-(phenylsulfonyl)-5-amino-7-(benzyloxy)-3-methylindole
Alternate Name(s) N-benzoyl-N-[1-benzoyl-7-(benzyloxy)-3-methyl-1H-indol-5-yl]benzenesulfonamide
CAS Registry Number 124400-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28N2O5S
InChI InChI=1S/C36H28N2O5S/c1-26-24-37(35(39)28-16-8-3-9-17-28)34-32(26)22-30(23-33(34)43-25-27-14-6-2-7-15-27)38(36(40)29-18-10-4-11-19-29)44(41,42)31-20-12-5-13-21-31/h2-24H,25H2,1H3
InChIKey DOYJTADNBXXWPH-UHFFFAOYSA-N
Molecular Weight 600.689 g/mol
SMILES c1(N(S(=O)(=O)c2ccccc2)C(=O)c2ccccc2)cc2c(c[n](c2c(c1)OCc1ccccc1)C(=O)c1ccccc1)C
SPLASH splash10-0a4i-3900000000-58ca1a616025fb467332
Source of Spectrum J-55-1384-3
Wiley ID 1410155