(2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid

Systemtic Name: (2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid Openeye Name: (2S)-2-(4-methylsulfonylphenyl)-3-tetrahydropyran-4-yl-propanoic acid CAS Name: (2S)-2-(4-methylsulfonylphenyl)-3-(4-oxanyl)propanoic acid IUPAC Name: (2S)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid Traditional Name: (2S)-2-(4-mesylphenyl)-3-tetrahydropyran-4-yl-propionic acid Formula: C15H20O5S MolecularWeight: 312.3813

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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)/t14-/m0/s1