1-[4-[4-nitro-3-(4-pyridin-2-ylsulfanylpiperidin-1-yl)phenoxy]phenyl]ethanone

Systemtic Name: 1-[4-[4-nitro-3-(4-pyridin-2-ylsulfanylpiperidin-1-yl)phenoxy]phenyl]ethanone Openeye Name: 1-[4-[4-nitro-3-[4-(2-pyridylsulfanyl)-1-piperidyl]phenoxy]phenyl]ethanone CAS Name: 1-[4-[4-nitro-3-[4-(2-pyridinylthio)-1-piperidinyl]phenoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-nitro-3-(4-pyridin-2-ylsulfanylpiperidin-1-yl)phenoxy]phenyl]ethanone Traditional Name: 1-[4-[4-nitro-3-[4-(2-pyridylthio)piperidino]phenoxy]phenyl]ethanone Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)SC4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)SC4=CC=CC=N4

InChI

InChI=1S/C24H23N3O4S/c1-17(28)18-5-7-19(8-6-18)31-20-9-10-22(27(29)30)23(16-20)26-14-11-21(12-15-26)32-24-4-2-3-13-25-24/h2-10,13,16,21H,11-12,14-15H2,1H3