[(4S,5S,6R)-5-oxidanyl-7-oxidanylidene-6-[(2R)-piperidin-2-yl]oxepan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4S,5S,6R)-5-oxidanyl-7-oxidanylidene-6-[(2R)-piperidin-2-yl]oxepan-4-yl] 4-methylbenzenesulfonate Openeye Name: [(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-2-piperidyl]oxepan-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-2-piperidinyl]-4-oxepanyl] ester IUPAC Name: [(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-piperidin-2-yl]oxepan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S,5S,6R)-5-hydroxy-7-keto-6-[(2R)-2-piperidyl]oxepan-4-yl] ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCOC(=O)C(C2O)C3CCCCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCOC(=O)[C@@H]([C@@H]2O)[C@H]3CCCCN3

InChI

InChI=1S/C18H25NO6S/c1-12-5-7-13(8-6-12)26(22,23)25-15-9-11-24-18(21)16(17(15)20)14-4-2-3-10-19-14/h5-8,14-17,19-20H,2-4,9-11H2,1H3/t14-,15+,16-,17-/m1/s1