(1-methoxy-1-oxidanylidene-propan-2-yl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

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