(2S,3S)-3-methyl-2-(phenylsulfonylmethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

Systemtic Name: (2S,3S)-3-methyl-2-(phenylsulfonylmethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Openeye Name: (2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one CAS Name: (2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one IUPAC Name: (2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Traditional Name: (2S,3S)-2-(besylmethyl)-3-methyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C(=O)CCC2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](OC2=C1C(=O)CCC2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18O4S/c1-11-15(20-14-9-5-8-13(17)16(11)14)10-21(18,19)12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3/t11-,15-/m1/s1