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2-({1-[4-(hexahydro-1H-azepin-1-ylsulfonyl)benzoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

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2-({1-[4-(hexahydro-1H-azepin-1-ylsulfonyl)benzoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID Krcbn0L1io6
InChI InChI=1S/C31H33N3O5S/c35-29(24-11-13-25(14-12-24)40(38,39)33-17-3-1-2-4-18-33)32-19-15-22(16-20-32)21-34-30(36)26-9-5-7-23-8-6-10-27(28(23)26)31(34)37/h5-14,22H,1-4,15-21H2
InChIKey KUWWYTYTAZODEZ-UHFFFAOYSA-N
Mol Weight 559.7 g/mol
Molecular Formula C31H33N3O5S
Exact Mass 559.214092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3R3NUZDyFvb
Name 2-({1-[4-(hexahydro-1H-azepin-1-ylsulfonyl)benzoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
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/C31H33N3O5S/c35-29(24-11-13-25(14-12-24)40(38,39)33-17-3-1-2-4-18-33)32-19-15-22(16-20-32)21-34-30(36)26-9-5-7-23-8-6-10-27(28(23)26)31(34)37/h5-14,22H,1-4,15-21H2
InChIKey KUWWYTYTAZODEZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2364
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: 111456; Labnumber: EX00111638; VK_ID: VK-002365
Temperature 318 °C