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1-[(Toluene-4-sulfonylmethyl)carbamoyl]-1,2-dihydroisoquinoline-2-carboxylic acid methyl ester
SpectraBase Compound ID sxUdi4OhR0
InChI InChI=1S/C20H20N2O5S/c1-14-7-9-16(10-8-14)28(25,26)13-21-19(23)18-17-6-4-3-5-15(17)11-12-22(18)20(24)27-2/h3-12,18H,13H2,1-2H3,(H,21,23)
InChIKey IROXOOHQYZWDCC-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C20H20N2O5S
Exact Mass 400.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2otADKD8Ep
Name 1-[(Toluene-4-sulfonylmethyl)carbamoyl]-1,2-dihydroisoquinoline-2-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-[({[(4-methylphenyl)sulfonyl]methyl}amino)carbonyl]-2(1H)-isoquinolinecarboxylate 1-[[(4-methylphenyl)sulfonylmethylamino]-oxomethyl]-1H-isoquinoline-2-carboxylic acid methyl ester Methyl 1-(p-tolylsulfonylmethylcarbamoyl)-1H-isoquinoline-2-carboxylate Methyl 1-[(4-methylphenyl)sulfonylmethylcarbamoyl]-1H-isoquinoline-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O5S
InChI InChI=1S/C20H20N2O5S/c1-14-7-9-16(10-8-14)28(25,26)13-21-19(23)18-17-6-4-3-5-15(17)11-12-22(18)20(24)27-2/h3-12,18H,13H2,1-2H3,(H,21,23)
InChIKey IROXOOHQYZWDCC-UHFFFAOYSA-N
Molecular Weight 400.449 g/mol
SMILES N(C(C1N(C=Cc2ccccc12)C(=O)OC)=O)CS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-002r-0900000000-23e5a42d4a5058a56f9e
Source of Spectrum F-69-3552-2
Wiley ID 1595121