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

Systemtic Name: (2S)-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidene-1H-isoindol-2-yl)pentanamide Openeye Name: (2S)-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(1-oxoisoindolin-2-yl)pentanamide CAS Name: (2S)-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide IUPAC Name: (2S)-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide Traditional Name: (2S)-2-(1-ketoisoindolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-methyl-valeramide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C22H23N3O4S2/c1-13(2)10-18(25-12-14-6-4-5-7-16(14)21(25)27)20(26)24-22-23-17-9-8-15(31(3,28)29)11-19(17)30-22/h4-9,11,13,18H,10,12H2,1-3H3,(H,23,24,26)/t18-/m0/s1