2-[1-[5-(4-methylsulfonylphenoxy)-2-nitro-phenyl]piperidin-4-yl]sulfanylpyridine

Systemtic Name: 2-[1-[5-(4-methylsulfonylphenoxy)-2-nitro-phenyl]piperidin-4-yl]sulfanylpyridine Openeye Name: 2-[[1-[5-(4-methylsulfonylphenoxy)-2-nitro-phenyl]-4-piperidyl]sulfanyl]pyridine CAS Name: 2-[[1-[5-(4-methylsulfonylphenoxy)-2-nitrophenyl]-4-piperidinyl]thio]pyridine IUPAC Name: 2-[1-[5-(4-methylsulfonylphenoxy)-2-nitrophenyl]piperidin-4-yl]sulfanylpyridine Traditional Name: 2-[[1-[5-(4-mesylphenoxy)-2-nitro-phenyl]-4-piperidyl]thio]pyridine Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S2/c1-33(29,30)20-8-5-17(6-9-20)31-18-7-10-21(26(27)28)22(16-18)25-14-11-19(12-15-25)32-23-4-2-3-13-24-23/h2-10,13,16,19H,11-12,14-15H2,1H3