2-azanyl-4-methylsulfonyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-azanyl-4-methylsulfonyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 2-amino-4-methylsulfonyl-1-(4-thiazol-2-ylpiperazin-1-yl)butan-1-one CAS Name: 2-amino-4-methylsulfonyl-1-[4-(2-thiazolyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-amino-4-methylsulfonyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 2-amino-4-mesyl-1-(4-thiazol-2-ylpiperazino)butan-1-one Formula: C12H20N4O3S2 MolecularWeight: 332.4422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=NC=CS2)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=NC=CS2)N

InChI

InChI=1S/C12H20N4O3S2/c1-21(18,19)9-2-10(13)11(17)15-4-6-16(7-5-15)12-14-3-8-20-12/h3,8,10H,2,4-7,9,13H2,1H3