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

Systemtic Name: (3S,4R)-4-(2-bromanyl-5-methoxy-phenyl)-3-methyl-4-(phenylsulfonyl)butanoic acid Openeye Name: (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxy-phenyl)-3-methyl-butanoic acid CAS Name: (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxyphenyl)-3-methylbutanoic acid IUPAC Name: (3S,4R)-4-(benzenesulfonyl)-4-(2-bromo-5-methoxyphenyl)-3-methylbutanoic acid Traditional Name: (3S,4R)-4-besyl-4-(2-bromo-5-methoxy-phenyl)-3-methyl-butyric acid Formula: C18H19BrO5S MolecularWeight: 427.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrO5S/c1-12(10-17(20)21)18(15-11-13(24-2)8-9-16(15)19)25(22,23)14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,20,21)/t12-,18+/m0/s1