6-fluoranyl-3-[1-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperidin-4-yl]-1,2-benzoxazole

Systemtic Name: 6-fluoranyl-3-[1-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperidin-4-yl]-1,2-benzoxazole Openeye Name: 6-fluoro-3-[1-[6-[(5-nitro-2-thienyl)sulfanyl]hexyl]-4-piperidyl]-1,2-benzoxazole CAS Name: 6-fluoro-3-[1-[6-[(5-nitro-2-thiophenyl)thio]hexyl]-4-piperidinyl]-1,2-benzoxazole IUPAC Name: 6-fluoro-3-[1-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperidin-4-yl]-1,2-benzoxazole Traditional Name: 6-fluoro-3-[1-[6-[(5-nitro-2-thienyl)thio]hexyl]-4-piperidyl]indoxazene Formula: C22H26FN3O3S2 MolecularWeight: 463.588543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCCCSC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCCCSC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H26FN3O3S2/c23-17-5-6-18-19(15-17)29-24-22(18)16-9-12-25(13-10-16)11-3-1-2-4-14-30-21-8-7-20(31-21)26(27)28/h5-8,15-16H,1-4,9-14H2