ethyl (2S,3R,4R,5R)-4-hexyl-2-methyl-5-(phenylsulfonylmethyl)oxolane-3-carboxylate

Systemtic Name: ethyl (2S,3R,4R,5R)-4-hexyl-2-methyl-5-(phenylsulfonylmethyl)oxolane-3-carboxylate Openeye Name: ethyl (2S,3R,4R,5R)-5-(benzenesulfonylmethyl)-4-hexyl-2-methyl-tetrahydrofuran-3-carboxylate CAS Name: (2S,3R,4R,5R)-5-(benzenesulfonylmethyl)-4-hexyl-2-methyl-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R,5R)-5-(benzenesulfonylmethyl)-4-hexyl-2-methyloxolane-3-carboxylate Traditional Name: (2S,3R,4R,5R)-5-(besylmethyl)-4-hexyl-2-methyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C21H32O5S MolecularWeight: 396.54078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC(C1C(=O)OCC)C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H]1[C@@H](O[C@H]([C@@H]1C(=O)OCC)C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32O5S/c1-4-6-7-11-14-18-19(26-16(3)20(18)21(22)25-5-2)15-27(23,24)17-12-9-8-10-13-17/h8-10,12-13,16,18-20H,4-7,11,14-15H2,1-3H3/t16-,18-,19-,20-/m0/s1