methyl (3S,4R)-4-(2-bromanyl-5-methoxy-phenyl)-3-methyl-4-(phenylsulfonyl)butanoate

Systemtic Name: methyl (3S,4R)-4-(2-bromanyl-5-methoxy-phenyl)-3-methyl-4-(phenylsulfonyl)butanoate Openeye Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxy-phenyl)-3-methyl-butanoate CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxyphenyl)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxyphenyl)-3-methylbutanoate Traditional Name: (3S,4R)-4-besyl-4-(2-bromo-5-methoxy-phenyl)-3-methyl-butyric acid methyl ester Formula: C19H21BrO5S MolecularWeight: 441.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO5S/c1-13(11-18(21)25-3)19(16-12-14(24-2)9-10-17(16)20)26(22,23)15-7-5-4-6-8-15/h4-10,12-13,19H,11H2,1-3H3/t13-,19+/m0/s1