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

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylthio)-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxyethylsulfanyl)pyrazin-2-yl]propanamide Traditional Name: N-(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)N(C2=CN=C(C=N2)SCCO)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=CN=C(C=N2)SCCO)C(=O)CCC3CCCC3)Cl

InChI

InChI=1S/C21H26ClN3O4S2/c1-31(28,29)18-8-7-16(12-17(18)22)25(21(27)9-6-15-4-2-3-5-15)19-13-24-20(14-23-19)30-11-10-26/h7-8,12-15,26H,2-6,9-11H2,1H3