5-ethyl-3-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-ethyl-3-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-1,2,4-oxadiazole Openeye Name: 5-ethyl-3-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-1,2,4-oxadiazole CAS Name: 5-ethyl-3-[5-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methoxyphenyl]-1,2,4-oxadiazole IUPAC Name: 5-ethyl-3-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-1,2,4-oxadiazole Traditional Name: 5-ethyl-3-[5-[4-(4-fluorophenyl)piperazino]sulfonyl-2-methoxy-phenyl]-1,2,4-oxadiazole Formula: C21H23FN4O4S MolecularWeight: 446.495123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CCC1=NC(=NO1)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C21H23FN4O4S/c1-3-20-23-21(24-30-20)18-14-17(8-9-19(18)29-2)31(27,28)26-12-10-25(11-13-26)16-6-4-15(22)5-7-16/h4-9,14H,3,10-13H2,1-2H3