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

Systemtic Name: (2S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-2-(1-ketoisoindolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-butyramide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4S2/c1-12(2)18(24-11-13-6-4-5-7-15(13)20(24)26)19(25)23-21-22-16-9-8-14(30(3,27)28)10-17(16)29-21/h4-10,12,18H,11H2,1-3H3,(H,22,23,25)/t18-/m0/s1