3-(4-cyclohexyl-3-methylsulfonyl-phenyl)-2-fluoranyl-propanoic acid

Systemtic Name: 3-(4-cyclohexyl-3-methylsulfonyl-phenyl)-2-fluoranyl-propanoic acid Openeye Name: 3-(4-cyclohexyl-3-methylsulfonyl-phenyl)-2-fluoro-propanoic acid CAS Name: 3-(4-cyclohexyl-3-methylsulfonylphenyl)-2-fluoropropanoic acid IUPAC Name: 3-(4-cyclohexyl-3-methylsulfonylphenyl)-2-fluoropropanoic acid Traditional Name: 3-(4-cyclohexyl-3-mesyl-phenyl)-2-fluoro-propionic acid Formula: C16H21FO4S MolecularWeight: 328.398943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)CC(C(=O)O)F)C2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)CC(C(=O)O)F)C2CCCCC2

InChI

InChI=1S/C16H21FO4S/c1-22(20,21)15-10-11(9-14(17)16(18)19)7-8-13(15)12-5-3-2-4-6-12/h7-8,10,12,14H,2-6,9H2,1H3,(H,18,19)