(5-bromanyl-2-methoxy-phenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (5-bromo-2-methoxy-benzyl) ester Formula: C19H22BrNO5S MolecularWeight: 456.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC(=C1)Br)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC(=C1)Br)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22BrNO5S/c1-13(2)18(21-27(23,24)16-7-5-4-6-8-16)19(22)26-12-14-11-15(20)9-10-17(14)25-3/h4-11,13,18,21H,12H2,1-3H3/t18-/m0/s1