N-[5-[2,3-bis(oxidanyl)propoxy]pyrazin-2-yl]-N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide

Systemtic Name: N-[5-[2,3-bis(oxidanyl)propoxy]pyrazin-2-yl]-N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(2,3-dihydroxypropoxy)pyrazin-2-yl]propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2,3-dihydroxypropoxy)-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2,3-dihydroxypropoxy)pyrazin-2-yl]propanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-N-(5-glyceryloxypyrazin-2-yl)propionamide Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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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)OCC(CO)O)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O6S/c1-33(30,31)19-8-7-16(10-18(19)23)26(22(29)9-6-15-4-2-3-5-15)20-11-25-21(12-24-20)32-14-17(28)13-27/h7-8,10-12,15,17,27-28H,2-6,9,13-14H2,1H3