2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide

Systemtic Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide Openeye Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide CAS Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methyl-4-pyrimidinyl)propanamide IUPAC Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide Traditional Name: 2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)NC(=O)C(CC2CCCC2)C3=CC(=C(C=C3)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=NC=CC(=N1)NC(=O)C(CC2CCCC2)C3=CC(=C(C=C3)S(=O)(=O)C)C#N

InChI

InChI=1S/C21H24N4O3S/c1-14-23-10-9-20(24-14)25-21(26)18(11-15-5-3-4-6-15)16-7-8-19(29(2,27)28)17(12-16)13-22/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,23,24,25,26)