(2S)-3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-pyridin-4-yl-propanamide

Systemtic Name: (2S)-3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-pyridin-4-yl-propanamide Openeye Name: (2S)-3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-isoindolin-2-yl)-N-(4-pyridyl)propanamide CAS Name: (2S)-3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-pyridin-4-ylpropanamide IUPAC Name: (2S)-3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-pyridin-4-ylpropanamide Traditional Name: (2S)-3-cyclohexyl-2-(1-keto-4-mesyl-isoindolin-2-yl)-N-(4-pyridyl)propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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)NC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)[C@@H](CC3CCCCC3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C23H27N3O4S/c1-31(29,30)21-9-5-8-18-19(21)15-26(23(18)28)20(14-16-6-3-2-4-7-16)22(27)25-17-10-12-24-13-11-17/h5,8-13,16,20H,2-4,6-7,14-15H2,1H3,(H,24,25,27)/t20-/m0/s1