(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21NO6S/c1-22-16(19)14(12-6-4-3-5-7-12)23-15(18)13-8-10-17(11-9-13)24(2,20)21/h3-7,13-14H,8-11H2,1-2H3