3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-3-phthalimido-propionamide Formula: C22H20N4O6S2 MolecularWeight: 500.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O6S2/c27-19(7-8-26-20(28)15-3-1-2-4-16(15)21(26)29)24-22-23-17-6-5-14(13-18(17)33-22)34(30,31)25-9-11-32-12-10-25/h1-6,13H,7-12H2,(H,23,24,27)