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benzenemethanamine, N-[5-[4-[(3-fluoro-4-methoxyphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
SpectraBase Compound ID 3vfzIDPdHmY
InChI InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3
InChIKey IELTWNYBYJVGSQ-UHFFFAOYSA-N
Mol Weight 514.57 g/mol
Molecular Formula C25H27FN4O5S
Exact Mass 514.168619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpAk8eezj3P
Name 5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
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Formula C25H27FN4O5S
InChI InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3
InChIKey IELTWNYBYJVGSQ-UHFFFAOYSA-N
Molecular Weight 514.572 g/mol
SMILES N(c1cc(N2CCN(S(c3cc(F)c(cc3)OC)(=O)=O)CC2)ccc1N(=O)=O)C(c1ccccc1)C
SPLASH splash10-0a4i-9601000000-22fda7be441234a5ee06
Synonyms 5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline [5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]-2-nitro-phenyl]-(1-phenylethyl)amine 5-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline
Wiley ID 1453380