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2-Furanmethanamine, N-[2-fluoro-5-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-4-nitrophenyl]tetrahydro-
SpectraBase Compound ID 1jjUNGRxuCd
InChI InChI=1S/C22H27FN4O5S/c1-16-4-6-18(7-5-16)33(30,31)26-10-8-25(9-11-26)21-14-20(19(23)13-22(21)27(28)29)24-15-17-3-2-12-32-17/h4-7,13-14,17,24H,2-3,8-12,15H2,1H3
InChIKey ZVFYWBYZXRBHRF-UHFFFAOYSA-N
Mol Weight 478.54 g/mol
Molecular Formula C22H27FN4O5S
Exact Mass 478.168619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7q32eFa3c9
Name 2-Furanmethanamine, N-[2-fluoro-5-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-4-nitrophenyl]tetrahydro-
Alternate Name(s) 2-Fluoro-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-nitro-N-(2-oxolanylmethyl)aniline 2-Fluoro-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-N-(oxolan-2-ylmethyl)aniline 2-Fluoro-4-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)aniline 2-Fluoranyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-N-(oxolan-2-ylmethyl)aniline
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Formula C22H27FN4O5S
InChI InChI=1S/C22H27FN4O5S/c1-16-4-6-18(7-5-16)33(30,31)26-10-8-25(9-11-26)21-14-20(19(23)13-22(21)27(28)29)24-15-17-3-2-12-32-17/h4-7,13-14,17,24H,2-3,8-12,15H2,1H3
InChIKey ZVFYWBYZXRBHRF-UHFFFAOYSA-N
Molecular Weight 478.539 g/mol
SMILES N(CC1CCCO1)c1cc(c(cc1F)N(=O)=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-000l-6891000000-5284807c986c42237e65
Source of Spectrum IY-1-4579-6
Wiley ID 1653779