methyl (2S,3S)-2-bromanyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S,3S)-2-bromanyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S,3S)-2-bromo-3-(4-methoxyphenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3S)-2-bromo-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-bromo-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S,3S)-2-bromo-3-(4-methoxyphenyl)-3-(tosylamino)propionic acid methyl 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(C2=CC=C(C=C2)OC)C(C(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO5S/c1-12-4-10-15(11-5-12)26(22,23)20-17(16(19)18(21)25-3)13-6-8-14(24-2)9-7-13/h4-11,16-17,20H,1-3H3/t16-,17-/m0/s1