phenacyl (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: phenacyl (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: phenacyl (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid phenacyl ester Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC3C(=O)OCC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3C[C@@H](C[C@H]3C(=O)OCC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C21H21NO8S/c23-15-10-17(21(25)30-13-18(24)14-4-2-1-3-5-14)22(12-15)31(26,27)16-6-7-19-20(11-16)29-9-8-28-19/h1-7,11,15,17,23H,8-10,12-13H2/t15-,17+/m1/s1