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

Systemtic Name: ethyl (2R,3R)-2-azanyl-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: ethyl (2R,3R)-2-amino-3-(4-bromophenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3R)-2-amino-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-amino-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2R,3R)-2-amino-3-(4-bromophenyl)-3-(tosylamino)propionic acid ethyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4S/c1-3-25-18(22)16(20)17(13-6-8-14(19)9-7-13)21-26(23,24)15-10-4-12(2)5-11-15/h4-11,16-17,21H,3,20H2,1-2H3/t16-,17-/m1/s1