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(R)-2-methyl-7-(4-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-one
SpectraBase Compound ID BabIoFRlFm
InChI InChI=1S/C25H27N3O3S/c1-18-15-25(29)23-10-8-21(27-13-11-26(2)12-14-27)17-24(23)28(18)32(30,31)22-9-7-19-5-3-4-6-20(19)16-22/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1
InChIKey MLWMWKMYRSHCPJ-GOSISDBHSA-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 91TFwtwt7xD
Name (R)-2-methyl-7-(4-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O3S
InChI InChI=1S/C25H27N3O3S/c1-18-15-25(29)23-10-8-21(27-13-11-26(2)12-14-27)17-24(23)28(18)32(30,31)22-9-7-19-5-3-4-6-20(19)16-22/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1
InChIKey MLWMWKMYRSHCPJ-GOSISDBHSA-N
Ionization Type EI
Molecular Weight 449.569 g/mol
Reported Formula C25H27N3O3S
SMILES C[C@@]1(CC(=O)c2ccc(N3CCN(C)CC3)cc2N1S(c1ccc2ccccc2c1)(=O)=O)[H]
SPLASH splash10-0006-9000000000-a64e92e77998b3d80078
Source of Spectrum KR20100124020A
Wiley ID 1844059