methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-thiomorpholin-4-ylsulfonyl-phenoxy]propanoate

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-thiomorpholin-4-ylsulfonyl-phenoxy]propanoate Openeye Name: methyl 2-[2-(1,3-dioxoisoindolin-2-yl)-4-thiomorpholinosulfonyl-phenoxy]propanoate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)-4-thiomorpholin-4-ylsulfonylphenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dioxoisoindol-2-yl)-4-thiomorpholin-4-ylsulfonylphenoxy]propanoate Traditional Name: 2-(2-phthalimido-4-thiomorpholinosulfonyl-phenoxy)propionic acid methyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O7S2/c1-14(22(27)30-2)31-19-8-7-15(33(28,29)23-9-11-32-12-10-23)13-18(19)24-20(25)16-5-3-4-6-17(16)21(24)26/h3-8,13-14H,9-12H2,1-2H3