(phenylmethyl) 4-(6-ethoxy-5-methylsulfonyloxy-6-oxidanylidene-hexyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-ethoxy-5-methylsulfonyloxy-6-oxidanylidene-hexyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(6-ethoxy-5-methylsulfonyloxy-6-oxo-hexyl)piperidine-1-carboxylate CAS Name: 4-(6-ethoxy-5-methylsulfonyloxy-6-oxohexyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-ethoxy-5-methylsulfonyloxy-6-oxohexyl)piperidine-1-carboxylate Traditional Name: 4-(6-ethoxy-6-keto-5-methylsulfonyloxy-hexyl)piperidine-1-carboxylic acid benzyl ester Formula: C22H33NO7S MolecularWeight: 455.56492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H33NO7S/c1-3-28-21(24)20(30-31(2,26)27)12-8-7-9-18-13-15-23(16-14-18)22(25)29-17-19-10-5-4-6-11-19/h4-6,10-11,18,20H,3,7-9,12-17H2,1-2H3