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N-[4-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide
SpectraBase Compound ID CmJYB9HHjm7
InChI InChI=1S/C25H27N5O5S/c1-19(31)27-21-7-10-23(11-8-21)36(34,35)29-15-13-28(14-16-29)22-9-12-25(30(32)33)24(17-22)26-18-20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3,(H,27,31)
InChIKey LDXVJLDFQAZKPK-UHFFFAOYSA-N
Mol Weight 509.58 g/mol
Molecular Formula C25H27N5O5S
Exact Mass 509.17329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ncgD2qUgGA
Name N-[4-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide
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Formula C25H27N5O5S
InChI InChI=1S/C25H27N5O5S/c1-19(31)27-21-7-10-23(11-8-21)36(34,35)29-15-13-28(14-16-29)22-9-12-25(30(32)33)24(17-22)26-18-20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3,(H,27,31)
InChIKey LDXVJLDFQAZKPK-UHFFFAOYSA-N
Molecular Weight 509.581 g/mol
SMILES N(c1cc(N2CCN(S(c3ccc(NC(=O)C)cc3)(=O)=O)CC2)ccc1N(=O)=O)Cc1ccccc1
SPLASH splash10-0a4l-9211000000-56cbfa1d0e4ba2a24216
Synonyms N-[4-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide N-[4-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide N-[4-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide
Wiley ID 1463993