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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-phthalimido-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O5S2/c27-19(9-12-26-20(28)15-5-1-2-6-16(15)21(26)29)24-22-23-17-8-7-14(13-18(17)32-22)33(30,31)25-10-3-4-11-25/h1-2,5-8,13H,3-4,9-12H2,(H,23,24,27)