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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(5-bromo-2-pyridyl)-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: N-(5-bromo-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(5-bromopyridin-2-yl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-(5-bromo-2-pyridyl)-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=NC=C(C=C1)Br)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=NC=C(C=C1)Br)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18BrN3O4S/c1-27(25,26)9-8-15(17(23)21-16-7-6-13(19)10-20-16)22-11-12-4-2-3-5-14(12)18(22)24/h2-7,10,15H,8-9,11H2,1H3,(H,20,21,23)