(2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoate

Systemtic Name: (2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoate Openeye Name: (2S)-2-(4-methylsulfonylphenyl)-3-tetrahydropyran-4-yl-propanoate CAS Name: (2S)-2-(4-methylsulfonylphenyl)-3-(4-oxanyl)propanoate IUPAC Name: (2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoate Traditional Name: (2S)-2-(4-mesylphenyl)-3-tetrahydropyran-4-yl-propionate Formula: C15H19O5S- MolecularWeight: 311.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCOCC2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@H](CC2CCOCC2)C(=O)[O-]

InChI

InChI=1S/C15H20O5S/c1-21(18,19)13-4-2-12(3-5-13)14(15(16)17)10-11-6-8-20-9-7-11/h2-5,11,14H,6-10H2,1H3,(H,16,17)/p-1/t14-/m0/s1