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

Systemtic Name: (2R)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide Openeye Name: (2R)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide CAS Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylthio)-2-pyrazinyl]propanamide IUPAC Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide Traditional Name: (2R)-2-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylthio)pyrazin-2-yl]propionamide Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=CN=C(C=N3)SCCO)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCCC2)C(=O)NC3=CN=C(C=N3)SCCO)Cl

InChI

InChI=1S/C21H26ClN3O4S2/c1-31(28,29)18-7-6-15(11-17(18)22)16(10-14-4-2-3-5-14)21(27)25-19-12-24-20(13-23-19)30-9-8-26/h6-7,11-14,16,26H,2-5,8-10H2,1H3,(H,23,25,27)/t16-/m1/s1