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1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
SpectraBase Compound ID KwmiVoas8NA
InChI InChI=1S/C19H25ClN4O3S/c1-14(24-16(3)19(20)15(2)21-24)13-18(25)22-9-11-23(12-10-22)28(26,27)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3
InChIKey YFHRQXKZTYXGCV-UHFFFAOYSA-N
Mol Weight 424.95 g/mol
Molecular Formula C19H25ClN4O3S
Exact Mass 424.13359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7o1ZpjnZGmf
Name 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
Alternate Name(s) Piperazine, 1-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxobutyl]-4-(phenylsulfonyl)- 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-butanone 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-one 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butan-1-one 3-(4-Chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one
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Formula C19H25ClN4O3S
InChI InChI=1S/C19H25ClN4O3S/c1-14(24-16(3)19(20)15(2)21-24)13-18(25)22-9-11-23(12-10-22)28(26,27)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3
InChIKey YFHRQXKZTYXGCV-UHFFFAOYSA-N
Molecular Weight 424.947 g/mol
SMILES c1ccc(S(N2CCN(C(CC([n]3nc(C)c(c3C)Cl)C)=O)CC2)(=O)=O)cc1
SPLASH splash10-053s-1980000000-77fcc2ebfa6f6b217f38
Source of Spectrum IY-2-5018-7
Wiley ID 1658170