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

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-N-[5-[cyano(oxidanyl)methyl]pyrazin-2-yl]-3-cyclopentyl-propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentyl-propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-N-[5-[cyano(hydroxy)methyl]-2-pyrazinyl]-3-cyclopentylpropanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentylpropanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentyl-propionamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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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(C#N)O)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S/c1-31(29,30)19-8-7-15(10-16(19)22)26(21(28)9-6-14-4-2-3-5-14)20-13-24-17(12-25-20)18(27)11-23/h7-8,10,12-14,18,27H,2-6,9H2,1H3