[(1S,2S,3R)-2-methyl-5-oxidanylidene-3-(phenylsulfonyl)cycloheptyl] ethanoate

Systemtic Name: [(1S,2S,3R)-2-methyl-5-oxidanylidene-3-(phenylsulfonyl)cycloheptyl] ethanoate Openeye Name: [(1S,2S,3R)-3-(benzenesulfonyl)-2-methyl-5-oxo-cycloheptyl] acetate CAS Name: acetic acid [(1S,2S,3R)-3-(benzenesulfonyl)-2-methyl-5-oxocycloheptyl] ester IUPAC Name: [(1S,2S,3R)-3-(benzenesulfonyl)-2-methyl-5-oxocycloheptyl] acetate Traditional Name: acetic acid [(1S,2S,3R)-3-besyl-5-keto-2-methyl-cycloheptyl] ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(=O)CC1S(=O)(=O)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H](CCC(=O)C[C@H]1S(=O)(=O)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C16H20O5S/c1-11-15(21-12(2)17)9-8-13(18)10-16(11)22(19,20)14-6-4-3-5-7-14/h3-7,11,15-16H,8-10H2,1-2H3/t11-,15-,16+/m0/s1