N-(1'-Benzyl-4'-piperidinyl)-2-methoxy-5-[N,N-bis(4''-toluenesulfonyl)amino]benzamide

SpectraBase Compound ID	Bv5DGUnHS2i
InChI	InChI=1S/C34H37N3O6S2/c1-25-9-14-30(15-10-25)44(39,40)37(45(41,42)31-16-11-26(2)12-17-31)29-13-18-33(43-3)32(23-29)34(38)35-28-19-21-36(22-20-28)24-27-7-5-4-6-8-27/h4-18,23,28H,19-22,24H2,1-3H3,(H,35,38)
InChIKey	HUKFQJJRAXBMEK-UHFFFAOYSA-N Google Search
Mol Weight	647.8 g/mol
Molecular Formula	C34H37N3O6S2
Exact Mass	647.212378 g/mol

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SpectraBase Spectrum ID	FcxXD1E99Aj
Name	N-(1'-Benzyl-4'-piperidinyl)-2-methoxy-5-[N,N-bis(4''-toluenesulfonyl)amino]benzamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	647.212378265 u
Formula	C34H37N3O6S2
InChI	InChI=1S/C34H37N3O6S2/c1-25-9-14-30(15-10-25)44(39,40)37(45(41,42)31-16-11-26(2)12-17-31)29-13-18-33(43-3)32(23-29)34(38)35-28-19-21-36(22-20-28)24-27-7-5-4-6-8-27/h4-18,23,28H,19-22,24H2,1-3H3,(H,35,38)
InChIKey	HUKFQJJRAXBMEK-UHFFFAOYSA-N
Molecular Weight	647.805 g/mol
SMILES	C=1(S(N(S(C=2C=CC(=CC2)C)(=O)=O)C=2C=C(C(NC3CCN(CC3)CC=3C=CC=CC3)=O)C(=CC2)OC)(=O)=O)C=CC(=CC1)C