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

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-oxidanylprop-1-ynyl)pyrazin-2-yl]propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)pyrazin-2-yl]propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)pyrazin-2-yl]propanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)pyrazin-2-yl]propionamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C#CCO)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C#CCO)C(=O)CCC3CCCC3)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-31(29,30)20-10-9-18(13-19(20)23)26(22(28)11-8-16-5-2-3-6-16)21-15-24-17(14-25-21)7-4-12-27/h9-10,13-16,27H,2-3,5-6,8,11-12H2,1H3