5-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C21H23BrN4O3S MolecularWeight: 491.40132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C21H23BrN4O3S/c1-15-3-5-17(6-4-15)21-23-20(29-24-21)14-25-9-11-26(12-10-25)30(27,28)18-7-8-19(22)16(2)13-18/h3-8,13H,9-12,14H2,1-2H3