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(S)-2-methyl-5-(4-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-one
SpectraBase Compound ID 90qQwBglU0O
InChI InChI=1S/C25H27N3O3S/c1-18-16-24(29)25-22(27-14-12-26(2)13-15-27)8-5-9-23(25)28(18)32(30,31)21-11-10-19-6-3-4-7-20(19)17-21/h3-11,17-18H,12-16H2,1-2H3/t18-/m0/s1
InChIKey JYJNPJVGVPZHKA-SFHVURJKSA-N
Mol Weight 449.57 g/mol
Molecular Formula C25H27N3O3S
Exact Mass 449.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22yRC0NJ4Cm
Name (S)-2-methyl-5-(4-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-one
Appearance Pale yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O3S
InChI InChI=1S/C25H27N3O3S/c1-18-16-24(29)25-22(27-14-12-26(2)13-15-27)8-5-9-23(25)28(18)32(30,31)21-11-10-19-6-3-4-7-20(19)17-21/h3-11,17-18H,12-16H2,1-2H3/t18-/m0/s1
InChIKey JYJNPJVGVPZHKA-SFHVURJKSA-N
Ionization Type EI
Molecular Weight 449.569 g/mol
Reported Formula C25H27N3O3S
SMILES c1(S(N2c3c(c(N4CCN(C)CC4)ccc3)C(=O)C[C@@]2(C)[H])(=O)=O)ccc2c(cccc2)c1
SPLASH splash10-0096-9201100000-7705efd411998fc303f7
Source of Spectrum KR20100124020A
Wiley ID 1844062