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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 3-(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:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H17N3O4S2/c1-28(25,26)13-6-7-15-16(10-13)27-19(20-15)21-17(23)8-9-22-11-12-4-2-3-5-14(12)18(22)24/h2-7,10H,8-9,11H2,1H3,(H,20,21,23)