ethyl (2R,3R)-3-(4-bromophenyl)-2-formamido-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: ethyl (2R,3R)-3-(4-bromophenyl)-2-formamido-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: ethyl (2R,3R)-3-(4-bromophenyl)-2-formamido-3-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3R)-3-(4-bromophenyl)-2-formamido-3-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-(4-bromophenyl)-2-formamido-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2R,3R)-3-(4-bromophenyl)-2-formamido-3-(tosylamino)propionic acid ethyl ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C)NC=O

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C)NC=O

InChI

InChI=1S/C19H21BrN2O5S/c1-3-27-19(24)18(21-12-23)17(14-6-8-15(20)9-7-14)22-28(25,26)16-10-4-13(2)5-11-16/h4-12,17-18,22H,3H2,1-2H3,(H,21,23)/t17-,18-/m1/s1