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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O5S2/c1-13(26-20(28)15-6-2-3-7-16(15)21(26)29)19(27)24-22-23-17-9-8-14(12-18(17)32-22)33(30,31)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,23,24,27)