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5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline
SpectraBase Compound ID 4QGRg9rE00c
InChI InChI=1S/C17H21N5O4S/c1-27(25,26)21-9-7-20(8-10-21)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey YVGHHYMCMFMAQZ-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C17H21N5O4S
Exact Mass 391.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKTFtW04d5B
Name 5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline
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Formula C17H21N5O4S
InChI InChI=1S/C17H21N5O4S/c1-27(25,26)21-9-7-20(8-10-21)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey YVGHHYMCMFMAQZ-UHFFFAOYSA-N
Molecular Weight 391.446 g/mol
SMILES N(c1cc(N2CCN(S(=O)(=O)C)CC2)ccc1N(=O)=O)Cc1cnccc1
SPLASH splash10-0a4l-9201000000-07287f0ac94385eb33f4
Synonyms 5-(4-Methylsulfonylpiperazin-1-yl)-2-nitro-N-(3-pyridylmethyl)aniline 5-(4-Methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline [5-(4-mesylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine
Wiley ID 1452372