(4-ethanoylphenyl) (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-ethanoylphenyl) (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-acetylphenyl) (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid (4-acetylphenyl) ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c1-14(21)15-8-10-16(11-9-15)25-19(22)18(12-13-26-2)20-27(23,24)17-6-4-3-5-7-17/h3-11,18,20H,12-13H2,1-2H3/t18-/m0/s1