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

Systemtic Name: ethyl (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-hexanoate Openeye Name: ethyl (2R,3S)-3-methyl-4-oxo-2-(p-tolylsulfonylamino)hexanoate CAS Name: (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxohexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-oxohexanoate Traditional Name: (2R,3S)-4-keto-3-methyl-2-(tosylamino)hexanoic acid ethyl ester Formula: C16H23NO5S MolecularWeight: 341.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(=O)[C@@H](C)[C@H](C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H23NO5S/c1-5-14(18)12(4)15(16(19)22-6-2)17-23(20,21)13-9-7-11(3)8-10-13/h7-10,12,15,17H,5-6H2,1-4H3/t12-,15-/m1/s1