N-(2-fluoranyl-5-methylsulfonyl-phenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(2-fluoranyl-5-methylsulfonyl-phenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(2-fluoro-5-methylsulfonyl-phenyl)-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(2-fluoro-5-methylsulfonylphenyl)-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(2-fluoro-5-methylsulfonylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(2-fluoro-5-mesyl-phenyl)butyramide Formula: C20H19FN2O5S MolecularWeight: 418.438663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)F

InChI

InChI=1S/C20H19FN2O5S/c1-12-5-7-14-15(10-12)20(26)23(19(14)25)9-3-4-18(24)22-17-11-13(29(2,27)28)6-8-16(17)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)