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2-[1-(3-fluorobenzyl)indol-3-yl]sulfonyl-1-(4-phenylpiperazino)ethanone
SpectraBase Compound ID KtTK3RxahWs
InChI InChI=1S/C27H26FN3O3S/c28-22-8-6-7-21(17-22)18-31-19-26(24-11-4-5-12-25(24)31)35(33,34)20-27(32)30-15-13-29(14-16-30)23-9-2-1-3-10-23/h1-12,17,19H,13-16,18,20H2
InChIKey PDLWPZUIDHXIJF-UHFFFAOYSA-N
Mol Weight 491.58 g/mol
Molecular Formula C27H26FN3O3S
Exact Mass 491.167891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDb3i8yfrU4
Name 2-[1-(3-fluorobenzyl)indol-3-yl]sulfonyl-1-(4-phenylpiperazino)ethanone
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Formula C27H26FN3O3S
InChI InChI=1S/C27H26FN3O3S/c28-22-8-6-7-21(17-22)18-31-19-26(24-11-4-5-12-25(24)31)35(33,34)20-27(32)30-15-13-29(14-16-30)23-9-2-1-3-10-23/h1-12,17,19H,13-16,18,20H2
InChIKey PDLWPZUIDHXIJF-UHFFFAOYSA-N
Molecular Weight 491.581 g/mol
SMILES c1(S(CC(N2CCN(CC2)c2ccccc2)=O)(=O)=O)c[n](Cc2cc(F)ccc2)c2c1cccc2
SPLASH splash10-0a4i-7910000000-6f00b2f4242b7c93248f
Synonyms 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone 2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]sulfonyl]-1-(4-phenyl-1-piperazinyl)ethanone
Wiley ID 1445442