4-quinolinecarboxamide, 2-(3,4-dimethoxyphenyl)-N-[6-(methylsulfonyl)-2-benzothiazolyl]-

SpectraBase Compound ID	9wbdJ9tbvt9
InChI	InChI=1S/C26H21N3O5S2/c1-33-22-11-8-15(12-23(22)34-2)21-14-18(17-6-4-5-7-19(17)27-21)25(30)29-26-28-20-10-9-16(36(3,31)32)13-24(20)35-26/h4-14H,1-3H3,(H,28,29,30)
InChIKey	KLRJIMVKTIMDOS-UHFFFAOYSA-N Google Search
Mol Weight	519.59 g/mol
Molecular Formula	C26H21N3O5S2
Exact Mass	519.092263 g/mol

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SpectraBase Spectrum ID	5GPrAos7JTX
Name	4-Quinolinecarboxamide, 2-(3,4-dimethoxyphenyl)-N-[6-(methylsulfonyl)-2-benzothiazolyl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	519.092263131 u
Formula	C26H21N3O5S2
InChI	InChI=1S/C26H21N3O5S2/c1-33-22-11-8-15(12-23(22)34-2)21-14-18(17-6-4-5-7-19(17)27-21)25(30)29-26-28-20-10-9-16(36(3,31)32)13-24(20)35-26/h4-14H,1-3H3,(H,28,29,30)
InChIKey	KLRJIMVKTIMDOS-UHFFFAOYSA-N
Molecular Weight	519.590 g/mol
SMILES	N(C1=NC=2C=CC(S(=O)(=O)C)=CC2S1)C(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O