3-butyl-5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-butyl-5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-1,2,4-oxadiazole Formula: C21H32N4O3S MolecularWeight: 420.56878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H32N4O3S/c1-5-6-7-19-22-20(28-23-19)16-24-12-14-25(15-13-24)29(26,27)18-10-8-17(9-11-18)21(2,3)4/h8-11H,5-7,12-16H2,1-4H3