N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N2O6S/c1-29(25,26)9-8-16(22-11-13-4-2-3-5-15(13)20(22)24)19(23)21-14-6-7-17-18(10-14)28-12-27-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23)