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N,1-dibenzoyl-N-(phenylsulfonyl)-5-amino-6-(benzyloxy)-3-methylindole
SpectraBase Compound ID 8Lrmph6yuv2
InChI InChI=1S/C36H28N2O5S/c1-26-24-37(35(39)28-16-8-3-9-17-28)32-23-34(43-25-27-14-6-2-7-15-27)33(22-31(26)32)38(36(40)29-18-10-4-11-19-29)44(41,42)30-20-12-5-13-21-30/h2-24H,25H2,1H3
InChIKey QONHCYNXOXREIV-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 BxXpoEBmrUd
Name N,1-dibenzoyl-N-(phenylsulfonyl)-5-amino-6-(benzyloxy)-3-methylindole
Alternate Name(s) N-benzoyl-N-[1-benzoyl-6-(benzyloxy)-3-methyl-1H-indol-5-yl]benzenesulfonamide
CAS Registry Number 124400-40-4
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)32-23-34(43-25-27-14-6-2-7-15-27)33(22-31(26)32)38(36(40)29-18-10-4-11-19-29)44(41,42)30-20-12-5-13-21-30/h2-24H,25H2,1H3
InChIKey QONHCYNXOXREIV-UHFFFAOYSA-N
Molecular Weight 600.689 g/mol
SMILES c1(S(N(c2c(cc3[n](C(=O)c4ccccc4)cc(c3c2)C)OCc2ccccc2)C(=O)c2ccccc2)(=O)=O)ccccc1
SPLASH splash10-0a4i-4900000000-4c01cd940aef4676ee0a
Source of Spectrum J-55-1384-5
Wiley ID 1410156