3-[(4R,5R)-2,2-dimethyl-5-(phenylsulfonylamino)-1,3-dioxan-4-yl]propanoic acid

Systemtic Name: 3-[(4R,5R)-2,2-dimethyl-5-(phenylsulfonylamino)-1,3-dioxan-4-yl]propanoic acid Openeye Name: 3-[(4R,5R)-5-(benzenesulfonamido)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid CAS Name: 3-[(4R,5R)-5-(benzenesulfonamido)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid IUPAC Name: 3-[(4R,5R)-5-(benzenesulfonamido)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid Traditional Name: 3-[(4R,5R)-5-(benzenesulfonamido)-2,2-dimethyl-1,3-dioxan-4-yl]propionic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)CCC(=O)O)NS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(OC[C@H]([C@H](O1)CCC(=O)O)NS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H21NO6S/c1-15(2)21-10-12(13(22-15)8-9-14(17)18)16-23(19,20)11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,17,18)/t12-,13-/m1/s1