2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyanophenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyanophenyl)-4-methylsulfonyl-butanamide Openeye Name: N-(4-cyanophenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: N-(4-cyanophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: N-(4-cyanophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: N-(4-cyanophenyl)-4-mesyl-2-phthalimido-butyramide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17N3O5S/c1-29(27,28)11-10-17(18(24)22-14-8-6-13(12-21)7-9-14)23-19(25)15-4-2-3-5-16(15)20(23)26/h2-9,17H,10-11H2,1H3,(H,22,24)