2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-2-phthalimido-propionamide Formula: C25H19N3O5S2 MolecularWeight: 505.56546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O5S2/c1-35(32,33)16-11-12-19-21(14-16)34-25(26-19)27-22(29)20(13-15-7-3-2-4-8-15)28-23(30)17-9-5-6-10-18(17)24(28)31/h2-12,14,20H,13H2,1H3,(H,26,27,29)