methyl (3S,4R)-4-[2-bromanyl-5-(methoxymethoxy)phenyl]-3-methyl-4-(phenylsulfonyl)butanoate

Systemtic Name: methyl (3S,4R)-4-[2-bromanyl-5-(methoxymethoxy)phenyl]-3-methyl-4-(phenylsulfonyl)butanoate Openeye Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-[2-bromo-5-(methoxymethoxy)phenyl]-3-methyl-butanoate CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-[2-bromo-5-(methoxymethoxy)phenyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-[2-bromo-5-(methoxymethoxy)phenyl]-3-methylbutanoate Traditional Name: (3S,4R)-4-besyl-4-[2-bromo-5-(methoxymethoxy)phenyl]-3-methyl-butyric acid methyl ester Formula: C20H23BrO6S MolecularWeight: 471.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(C1=C(C=CC(=C1)OCOC)Br)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@H](C1=C(C=CC(=C1)OCOC)Br)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23BrO6S/c1-14(11-19(22)26-3)20(28(23,24)16-7-5-4-6-8-16)17-12-15(27-13-25-2)9-10-18(17)21/h4-10,12,14,20H,11,13H2,1-3H3/t14-,20+/m0/s1