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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 2-(1-ketoisoindolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-11(22-10-12-5-3-4-6-14(12)18(22)24)17(23)21-19-20-15-8-7-13(28(2,25)26)9-16(15)27-19/h3-9,11H,10H2,1-2H3,(H,20,21,23)