(5-bromanyl-2-methoxy-phenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H20BrNO5S/c1-12-4-7-16(8-5-12)26(22,23)20-13(2)18(21)25-11-14-10-15(19)6-9-17(14)24-3/h4-10,13,20H,11H2,1-3H3/t13-/m0/s1