(phenylmethyl) (2S,3S)-3-(4-bromophenyl)-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S,3S)-3-(4-bromophenyl)-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-methyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-methyl-2-(tosylamino)propionic acid benzyl ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C(C2=CC=C(C=C2)Br)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@H](C2=CC=C(C=C2)Br)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24BrNO5S/c1-17-8-14-21(15-9-17)32(29,30)26-24(2,22(27)19-10-12-20(25)13-11-19)23(28)31-16-18-6-4-3-5-7-18/h3-15,22,26-27H,16H2,1-2H3/t22-,24-/m0/s1