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 |