(phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: benzyl (2S)-3-hydroxy-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-hydroxy-2-(tosylamino)butyric acid benzyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-17(14(2)20)18(21)24-12-15-6-4-3-5-7-15/h3-11,14,17,19-20H,12H2,1-2H3/t14?,17-/m0/s1