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

Systemtic Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrimidin-4-yl-propanamide Openeye Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrimidin-4-yl-propanamide CAS Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-(4-pyrimidinyl)propanamide IUPAC Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide Traditional Name: 2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-N-(4-pyrimidyl)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=NC=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=NC=C3)C#N

InChI

InChI=1S/C20H22N4O3S/c1-28(26,27)18-7-6-15(11-16(18)12-21)17(10-14-4-2-3-5-14)20(25)24-19-8-9-22-13-23-19/h6-9,11,13-14,17H,2-5,10H2,1H3,(H,22,23,24,25)