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1-Azepanyl-[6-[(4-methyl-1-piperidinyl)sulfonyl]-2-phenyl-4-quinolinyl]methanone
SpectraBase Compound ID 66D9arnUaQ2
InChI InChI=1S/C28H33N3O3S/c1-21-13-17-31(18-14-21)35(33,34)23-11-12-26-24(19-23)25(28(32)30-15-7-2-3-8-16-30)20-27(29-26)22-9-5-4-6-10-22/h4-6,9-12,19-21H,2-3,7-8,13-18H2,1H3
InChIKey FXFKJQYCSPQCAN-UHFFFAOYSA-N
Mol Weight 491.7 g/mol
Molecular Formula C28H33N3O3S
Exact Mass 491.224263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p9X12iUGdi
Name 1-Azepanyl-[6-[(4-methyl-1-piperidinyl)sulfonyl]-2-phenyl-4-quinolinyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33N3O3S
InChI InChI=1S/C28H33N3O3S/c1-21-13-17-31(18-14-21)35(33,34)23-11-12-26-24(19-23)25(28(32)30-15-7-2-3-8-16-30)20-27(29-26)22-9-5-4-6-10-22/h4-6,9-12,19-21H,2-3,7-8,13-18H2,1H3
InChIKey FXFKJQYCSPQCAN-UHFFFAOYSA-N
Molecular Weight 491.650 g/mol
SMILES C(=O)(c1cc(nc2ccc(cc12)S(=O)(N1CCC(C)CC1)=O)-c1ccccc1)N1CCCCCC1
SPLASH splash10-001j-9145000000-e03d8e97856290d61eda
Synonyms azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinolin-4-yl]methanone azepan-1-yl-[6-(4-methylpiperidino)sulfonyl-2-phenyl-4-quinolyl]methanone azepan-1-yl-[6-[(4-methyl-1-piperidyl)sulfonyl]-2-phenyl-4-quinolyl]methanone
Wiley ID 1444293