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

Systemtic Name: (2R)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-oxidanylprop-1-ynyl)pyrazin-2-yl]propanamide Openeye Name: (2R)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)pyrazin-2-yl]propanamide CAS Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-2-pyrazinyl]propanamide IUPAC Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)pyrazin-2-yl]propanamide Traditional Name: (2R)-2-(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)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C#CCO)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(N=C3)C#CCO)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-31(29,30)20-9-8-16(12-19(20)23)18(11-15-5-2-3-6-15)22(28)26-21-14-24-17(13-25-21)7-4-10-27/h8-9,12-15,18,27H,2-3,5-6,10-11H2,1H3,(H,25,26,28)/t18-/m1/s1