Chem
J-GLOBAL ID：200907088373233565   Nikkaji number：J1.011.556F

3-Nitro-4-(4-tosylpiperazino)benzoic acid methyl ester

3-ニトロ-4-(4-トシルピペラジノ)安息香酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H21N2[N+]O5[O-]S
Molecular formula furigana： C19-H21-N3-O6-S
Molecular weight： 419.450
InChI： InChI=1S/C19H21N3O6S/c1-14-3-6-16(7-4-14)29(26,27)21-11-9-20(10-12-21)17-8-5-15(19(23)28-2)13-18(17)22(24)25/h3-8,13H,9-12H2,1-2H3
InChI key： PGIWMELRJGWFPO-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-4-(4-トシルピペラジノ)安息香酸メチル
  • メチル 4-[4-(4-メチルベンゼンスルホニル)ピペラジン-1-イル]-3-ニトロベンゾアート
  • methyl 4-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoate
Other name (1)：
  • 3-Nitro-4-(4-tosylpiperazino)benzoic acid methyl ester
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