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

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrazin-2-yl]propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrazin-2-yl]propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxy-3-methylbut-1-ynyl)pyrazin-2-yl]propanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-N-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrazin-2-yl]propionamide Formula: C24H28ClN3O4S MolecularWeight: 490.01482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CN=C(C=N1)N(C2=CC(=C(C=C2)S(=O)(=O)C)Cl)C(=O)CCC3CCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CN=C(C=N1)N(C2=CC(=C(C=C2)S(=O)(=O)C)Cl)C(=O)CCC3CCCC3)O

InChI

InChI=1S/C24H28ClN3O4S/c1-24(2,30)13-12-18-15-27-22(16-26-18)28(23(29)11-8-17-6-4-5-7-17)19-9-10-21(20(25)14-19)33(3,31)32/h9-10,14-17,30H,4-8,11H2,1-3H3