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Concept information

Preferred term

5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-n-(3-pyridinylmethyl)aniline  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H23N5O4S

inchi

  • InChI=1S/C18H23N5O4S/c1-2-28(26,27)22-10-8-21(9-11-22)16-5-6-18(23(24)25)17(12-16)20-14-15-4-3-7-19-13-15/h3-7,12-13,20H,2,8-11,14H2,1H3

inchikey

  • FZQUZQSRWWLKFF-UHFFFAOYSA-N

mass

  • 405.473

monoisotopicmass

  • 405.14708

smiles

  • CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120524

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