2-[4-(1-methylsulfonylpyrrolidin-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1-methylsulfonylpyrrolidin-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(1-methylsulfonyl-2-pyrrolidinyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1-mesylprolyl)piperazino]acetic acid Formula: C12H21N3O5S MolecularWeight: 319.37724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H21N3O5S/c1-21(19,20)15-4-2-3-10(15)12(18)14-7-5-13(6-8-14)9-11(16)17/h10H,2-9H2,1H3,(H,16,17)