4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-methylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-mesylpiperazino)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one Formula: C12H20N4O4S MolecularWeight: 316.3766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=N1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C12H20N4O4S/c1-10-13-11(20-14-10)4-3-5-12(17)15-6-8-16(9-7-15)21(2,18)19/h3-9H2,1-2H3