(2S,7S)-7-methyl-2-(phenylsulfonylmethyl)oxepan-3-one

Systemtic Name: (2S,7S)-7-methyl-2-(phenylsulfonylmethyl)oxepan-3-one Openeye Name: (2S,7S)-2-(benzenesulfonylmethyl)-7-methyl-oxepan-3-one CAS Name: (2S,7S)-2-(benzenesulfonylmethyl)-7-methyl-3-oxepanone IUPAC Name: (2S,7S)-2-(benzenesulfonylmethyl)-7-methyloxepan-3-one Traditional Name: (2S,7S)-2-(besylmethyl)-7-methyl-oxepan-3-one Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C(O1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCC(=O)[C@H](O1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18O4S/c1-11-6-5-9-13(15)14(18-11)10-19(16,17)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3/t11-,14+/m0/s1