2-(4-fluorophenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(4-fluorophenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-fluorophenyl)-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(4-fluorophenyl)-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-fluorophenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(4-fluorophenyl)-5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C20H19FN4O5S2 MolecularWeight: 478.517063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O5S2/c1-13-3-2-10-24(12-13)32(28,29)16-8-9-18(17(11-16)25(26)27)31-20-23-22-19(30-20)14-4-6-15(21)7-5-14/h4-9,11,13H,2-3,10,12H2,1H3