methyl (2R)-1-methylsulfonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2R)-1-methylsulfonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2R)-4-(isopropylcarbamoyl)-1-methylsulfonyl-piperazine-2-carboxylate CAS Name: (2R)-1-methylsulfonyl-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-methylsulfonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2R)-4-(isopropylcarbamoyl)-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C11H21N3O5S MolecularWeight: 307.36654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C11H21N3O5S/c1-8(2)12-11(16)13-5-6-14(20(4,17)18)9(7-13)10(15)19-3/h8-9H,5-7H2,1-4H3,(H,12,16)/t9-/m1/s1