ethyl (2S,3R)-4-(4-methoxyphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl (2S,3R)-4-(4-methoxyphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl (2S,3R)-4-(4-methoxyphenyl)-3-methyl-4-oxo-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S,3R)-4-(4-methoxyphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-4-(4-methoxyphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoate Traditional Name: (2S,3R)-4-keto-4-(4-methoxyphenyl)-3-methyl-2-(tosylamino)butyric acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(=O)C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-5-28-21(24)19(22-29(25,26)18-12-6-14(2)7-13-18)15(3)20(23)16-8-10-17(27-4)11-9-16/h6-13,15,19,22H,5H2,1-4H3/t15-,19+/m1/s1