N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1-oxoisoindolin-2-yl)butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: 4-(1-ketoisoindolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19N3O4S2/c1-29(26,27)14-8-9-16-17(11-14)28-20(21-16)22-18(24)7-4-10-23-12-13-5-2-3-6-15(13)19(23)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,22,24)