[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-methyl-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methyl-3-(4-methylpiperidino)sulfonyl-benzoic acid (3-phthalimidophenyl) ester Formula: C28H26N2O6S MolecularWeight: 518.58084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H26N2O6S/c1-18-12-14-29(15-13-18)37(34,35)25-16-20(11-10-19(25)2)28(33)36-22-7-5-6-21(17-22)30-26(31)23-8-3-4-9-24(23)27(30)32/h3-11,16-18H,12-15H2,1-2H3