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

Systemtic Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-quinolin-2-yl-propanamide Openeye Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-(2-quinolyl)propanamide CAS Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-quinolinyl)propanamide IUPAC Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide Traditional Name: 2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-N-(2-quinolyl)propionamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C25H25N3O3S/c1-32(30,31)23-12-10-19(15-20(23)16-26)21(14-17-6-2-3-7-17)25(29)28-24-13-11-18-8-4-5-9-22(18)27-24/h4-5,8-13,15,17,21H,2-3,6-7,14H2,1H3,(H,27,28,29)