(2-benzamido-2-oxidanylidene-ethyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-benzamido-2-keto-ethyl) ester Formula: C16H20N2O6S MolecularWeight: 368.4048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O6S/c1-25(22,23)18-9-7-13(8-10-18)16(21)24-11-14(19)17-15(20)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,19,20)