3-[4-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoate

Systemtic Name: 3-[4-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoate Openeye Name: 3-[4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-(4-mesylpiperazine-1-carbonyl)pyrazol-1-yl]propionate Formula: C12H17N4O5S- MolecularWeight: 329.35218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2)CCC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2)CCC(=O)[O-]

InChI

InChI=1S/C12H18N4O5S/c1-22(20,21)16-6-4-14(5-7-16)12(19)10-8-13-15(9-10)3-2-11(17)18/h8-9H,2-7H2,1H3,(H,17,18)/p-1