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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
Mol Weight 647.8 g/mol
Molecular Formula C34H37N3O6S2
Exact Mass 647.212378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MzfpGojD7a
Name N-(1'-Benzyl-4'-piperidinyl)-2-methoxy-5-[N,N-bis(4"-toluenesulfonyl)amino]benzamide
Alternate Name(s) N-(1'-Benzyl-4'-piperidinyl)-2-methoxy-5-[N,N-bis(4''-toluenesulfonyl)amino]benzamide N-(1-benzyl-4-piperidinyl)-5-{bis[(4-methylphenyl)sulfonyl]amino}-2-methoxybenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(c1cc(N(S(c2ccc(cc2)C)(=O)=O)S(c2ccc(cc2)C)(=O)=O)ccc1OC)=O)C1CCN(CC1)Cc1ccccc1
SPLASH splash10-0006-9100000000-e8c69e468bda095ff5d2
Source of Spectrum G-55-1307-0
Wiley ID 748175