2-(4-butoxyphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide

SpectraBase Compound ID	3pIpK9N9W86
InChI	InChI=1S/C28H25N3O4S2/c1-3-4-15-35-19-11-9-18(10-12-19)25-17-22(21-7-5-6-8-23(21)29-25)27(32)31-28-30-24-14-13-20(37(2,33)34)16-26(24)36-28/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,31,32)
InChIKey	CTVDNPNLNBSVBB-UHFFFAOYSA-N Google Search
Mol Weight	531.65 g/mol
Molecular Formula	C28H25N3O4S2
Exact Mass	531.128649 g/mol

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SpectraBase Spectrum ID	GI82G6SPknt
Name	2-(4-butoxyphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H25N3O4S2/c1-3-4-15-35-19-11-9-18(10-12-19)25-17-22(21-7-5-6-8-23(21)29-25)27(32)31-28-30-24-14-13-20(37(2,33)34)16-26(24)36-28/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,31,32)
InChIKey	CTVDNPNLNBSVBB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_19464
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/9132792; Labnumber: U_AMK_AC/017718; UZI_ID: UZI-019471
Temperature	318 °C