3-(2-ethoxyphenyl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-ethoxyphenyl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylsulfonylpiperazin-1-yl)methyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole CAS Name: 3-(2-ethoxyphenyl)-5-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylsulfonylpiperazin-1-yl)methyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylsulfonylpiperazino)methyl]-3-o-phenetyl-1,2,4-oxadiazole Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c1-2-29-20-11-7-6-10-19(20)22-23-21(30-24-22)16-25-12-14-26(15-13-25)31(27,28)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3