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

Systemtic Name: (phenylmethyl) (2S,3S)-2-methyl-3-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S,3S)-3-hydroxy-2-methyl-3-(p-tolyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-hydroxy-2-methyl-3-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-(p-tolyl)-2-(tosylamino)propionic acid benzyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)(C(=O)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]([C@@](C)(C(=O)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C25H27NO5S/c1-18-9-13-21(14-10-18)23(27)25(3,24(28)31-17-20-7-5-4-6-8-20)26-32(29,30)22-15-11-19(2)12-16-22/h4-16,23,26-27H,17H2,1-3H3/t23-,25-/m0/s1