3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-isoindolin-2-yl)propanoic acid CAS Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-cyclohexyl-2-(1-keto-4-mesyl-isoindolin-2-yl)propionic acid Formula: C18H23NO5S MolecularWeight: 365.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)O

InChI

InChI=1S/C18H23NO5S/c1-25(23,24)16-9-5-8-13-14(16)11-19(17(13)20)15(18(21)22)10-12-6-3-2-4-7-12/h5,8-9,12,15H,2-4,6-7,10-11H2,1H3,(H,21,22)