benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 3-[[3-(4-morpholinylsulfonyl)benzoyl]amino]phenyl ester

SpectraBase Compound ID	42nYPK4MzhV
InChI	InChI=1S/C30H33N3O8S2/c34-29(23-8-5-12-27(20-23)43(38,39)33-16-18-40-19-17-33)31-25-10-7-11-26(22-25)41-30(35)24-9-6-13-28(21-24)42(36,37)32-14-3-1-2-4-15-32/h5-13,20-22H,1-4,14-19H2,(H,31,34)
InChIKey	OCEAENOJQOJQNO-UHFFFAOYSA-N Google Search
Mol Weight	627.7 g/mol
Molecular Formula	C30H33N3O8S2
Exact Mass	627.170907 g/mol

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SpectraBase Spectrum ID	Fnvhiv50Rdo
Name	benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 3-[[3-(4-morpholinylsulfonyl)benzoyl]amino]phenyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	627.170907375 u
Formula	C30H33N3O8S2
InChI	InChI=1S/C30H33N3O8S2/c34-29(23-8-5-12-27(20-23)43(38,39)33-16-18-40-19-17-33)31-25-10-7-11-26(22-25)41-30(35)24-9-6-13-28(21-24)42(36,37)32-14-3-1-2-4-15-32/h5-13,20-22H,1-4,14-19H2,(H,31,34)
InChIKey	OCEAENOJQOJQNO-UHFFFAOYSA-N
Molecular Weight	627.727 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_1005
Solvent	DMSO-d6
Source	Vendor ID: ZI/8045888; Lab Info: SP; Lab Number: SP-0002125