(2R)-3-cyclopentyl-2-(3-methyl-4-methylsulfonyl-phenyl)-N-[5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrazin-2-yl]propanamide

Systemtic Name: (2R)-3-cyclopentyl-2-(3-methyl-4-methylsulfonyl-phenyl)-N-[5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrazin-2-yl]propanamide Openeye Name: (2R)-3-cyclopentyl-N-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrazin-2-yl]-2-(3-methyl-4-methylsulfonyl-phenyl)propanamide CAS Name: (2R)-3-cyclopentyl-N-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-pyrazinyl]-2-(3-methyl-4-methylsulfonylphenyl)propanamide IUPAC Name: (2R)-3-cyclopentyl-N-[5-(3-hydroxy-3-methylbut-1-ynyl)pyrazin-2-yl]-2-(3-methyl-4-methylsulfonylphenyl)propanamide Traditional Name: (2R)-3-cyclopentyl-N-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrazin-2-yl]-2-(4-mesyl-3-methyl-phenyl)propionamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C#CC(C)(C)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(N=C3)C#CC(C)(C)O)S(=O)(=O)C

InChI

InChI=1S/C25H31N3O4S/c1-17-13-19(9-10-22(17)33(4,31)32)21(14-18-7-5-6-8-18)24(29)28-23-16-26-20(15-27-23)11-12-25(2,3)30/h9-10,13,15-16,18,21,30H,5-8,14H2,1-4H3,(H,27,28,29)/t21-/m1/s1