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

Systemtic Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyridin-2-yl-propanamide Openeye Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-(2-pyridyl)propanamide CAS Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-pyridinyl)propanamide IUPAC Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide Traditional Name: 2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-N-(2-pyridyl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=CC=CC=N3)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=CC=CC=N3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-28(26,27)19-10-9-16(13-17(19)14-22)18(12-15-6-2-3-7-15)21(25)24-20-8-4-5-11-23-20/h4-5,8-11,13,15,18H,2-3,6-7,12H2,1H3,(H,23,24,25)