[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (3-phthalimidophenyl) ester Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N2O6S/c1-14(25)23-15-9-11-18(12-10-15)31(28,29)30-17-6-4-5-16(13-17)24-21(26)19-7-2-3-8-20(19)22(24)27/h2-13H,1H3,(H,23,25)