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

Systemtic Name: (2R)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-N-[5-[cyano(oxidanyl)methyl]pyrazin-2-yl]-3-cyclopentyl-propanamide Openeye Name: (2R)-2-(3-chloro-4-methylsulfonyl-phenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentyl-propanamide CAS Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-[5-[cyano(hydroxy)methyl]-2-pyrazinyl]-3-cyclopentylpropanamide IUPAC Name: (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentylpropanamide Traditional Name: (2R)-2-(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)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C(C#N)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S/c1-31(29,30)19-7-6-14(9-16(19)22)15(8-13-4-2-3-5-13)21(28)26-20-12-24-17(11-25-20)18(27)10-23/h6-7,9,11-13,15,18,27H,2-5,8H2,1H3,(H,25,26,28)/t15-,18?/m1/s1