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benzenemethanamine, alpha-methyl-N-[5-[4-[[4-(methylthio)phenyl]sulfonyl]-1-piperazinyl]-2-nitrophenyl]-
SpectraBase Compound ID EZIoUiYI78b
InChI InChI=1S/C25H28N4O4S2/c1-19(20-6-4-3-5-7-20)26-24-18-21(8-13-25(24)29(30)31)27-14-16-28(17-15-27)35(32,33)23-11-9-22(34-2)10-12-23/h3-13,18-19,26H,14-17H2,1-2H3
InChIKey VPRPNNZAJGXFGS-UHFFFAOYSA-N
Mol Weight 512.64 g/mol
Molecular Formula C25H28N4O4S2
Exact Mass 512.155198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JhqLCllr5h
Name 5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
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Formula C25H28N4O4S2
InChI InChI=1S/C25H28N4O4S2/c1-19(20-6-4-3-5-7-20)26-24-18-21(8-13-25(24)29(30)31)27-14-16-28(17-15-27)35(32,33)23-11-9-22(34-2)10-12-23/h3-13,18-19,26H,14-17H2,1-2H3
InChIKey VPRPNNZAJGXFGS-UHFFFAOYSA-N
Molecular Weight 512.643 g/mol
SMILES N(c1cc(N2CCN(S(c3ccc(cc3)SC)(=O)=O)CC2)ccc1N(=O)=O)C(c1ccccc1)C
SPLASH splash10-0pb9-2900000000-1a7a011b41d8a93a6a58
Synonyms 5-[4-[4-(methylthio)phenyl]sulfonyl-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline [5-[4-[4-(methylthio)phenyl]sulfonylpiperazino]-2-nitro-phenyl]-(1-phenylethyl)amine
Wiley ID 1453293