[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C11H19N3O6S MolecularWeight: 321.35006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C11H19N3O6S/c1-7(9(15)13-11(12)17)20-10(16)8-3-5-14(6-4-8)21(2,18)19/h7-8H,3-6H2,1-2H3,(H3,12,13,15,17)