3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-pyrazin-2-yl-propanamide

Systemtic Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-pyrazin-2-yl-propanamide Openeye Name: 3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-isoindolin-2-yl)-N-pyrazin-2-yl-propanamide CAS Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(2-pyrazinyl)propanamide IUPAC Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-pyrazin-2-ylpropanamide Traditional Name: 3-cyclohexyl-2-(1-keto-4-mesyl-isoindolin-2-yl)-N-pyrazin-2-yl-propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)NC4=NC=CN=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)NC4=NC=CN=C4

InChI

InChI=1S/C22H26N4O4S/c1-31(29,30)19-9-5-8-16-17(19)14-26(22(16)28)18(12-15-6-3-2-4-7-15)21(27)25-20-13-23-10-11-24-20/h5,8-11,13,15,18H,2-4,6-7,12,14H2,1H3,(H,24,25,27)