(2R)-2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-propanoate

Systemtic Name: (2R)-2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-propanoate Openeye Name: (2R)-2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-propanoate CAS Name: (2R)-2-methyl-3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]propanoate IUPAC Name: (2R)-2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylpropanoate Traditional Name: (2R)-3-(4-isobutyrylpiperazino)sulfonyl-2-methyl-propionate Formula: C12H21N2O5S- MolecularWeight: 305.37054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)CC(C)C(=O)[O-]

Isomeric SMILES

C[C@@H](CS(=O)(=O)N1CCN(CC1)C(=O)C(C)C)C(=O)[O-]

InChI

InChI=1S/C12H22N2O5S/c1-9(2)11(15)13-4-6-14(7-5-13)20(18,19)8-10(3)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)/p-1/t10-/m0/s1