Systematic / IUPAC Name: Methyl 5-{[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl}-2-methyl-3-furoate
ID: Reference7120
Other Names: 3-Furancarboxylic acid, 5-{[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl}-2-methyl-, methyl ester
Formula: C18H22N2O6S
Methyl 5-{[4-(4-methoxyphenyl)piperazino]sulfonyl}-2-methyl-3-furoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 12/1/2017 1:11:11 PM |
InChI | InChI=1S/C18H22N2O6S/c1-13-16(18(21)25-3)12-17(26-13)27(22,23)20-10-8-19(9-11-20)14-4-6-15(24-2)7-5-14/h4-7,12H,8-11H2,1-3H3 |
InChI Key | FTEPIESIAHVUGB-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(C=C(O1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)OC |
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Other Names | 3-Furancarboxylic acid, 5-{[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl}-2-methyl-, methyl ester |