3-oxidanylidenebutan-2-yl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-1-methyl-propyl) ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-12(18)13(2)22-16(19)14-8-10-17(11-9-14)23(20,21)15-6-4-3-5-7-15/h3-7,13-14H,8-11H2,1-2H3