[5-cyclopropyloxy-6-methyl-7-(3-methylphenoxy)-1,3-bis(oxidanylidene)isoindol-4-yl] 2-cyanobenzenesulfonate

Systemtic Name: [5-cyclopropyloxy-6-methyl-7-(3-methylphenoxy)-1,3-bis(oxidanylidene)isoindol-4-yl] 2-cyanobenzenesulfonate Openeye Name: [5-(cyclopropoxy)-6-methyl-7-(3-methylphenoxy)-1,3-dioxo-isoindolin-4-yl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [5-cyclopropyloxy-6-methyl-7-(3-methylphenoxy)-1,3-dioxo-4-isoindolyl] ester IUPAC Name: [5-cyclopropyloxy-6-methyl-7-(3-methylphenoxy)-1,3-dioxoisoindol-4-yl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [5-(cyclopropoxy)-1,3-diketo-6-methyl-7-(3-methylphenoxy)isoindolin-4-yl] ester Formula: C26H20N2O7S MolecularWeight: 504.5112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C(=C(C3=C2C(=O)NC3=O)OS(=O)(=O)C4=CC=CC=C4C#N)OC5CC5)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C(=C(C3=C2C(=O)NC3=O)OS(=O)(=O)C4=CC=CC=C4C#N)OC5CC5)C

InChI

InChI=1S/C26H20N2O7S/c1-14-6-5-8-18(12-14)34-22-15(2)23(33-17-10-11-17)24(21-20(22)25(29)28-26(21)30)35-36(31,32)19-9-4-3-7-16(19)13-27/h3-9,12,17H,10-11H2,1-2H3,(H,28,29,30)