[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid (3-phthalimidophenyl) ester Formula: C26H21BrN2O6S MolecularWeight: 569.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)Br

InChI

InChI=1S/C26H21BrN2O6S/c27-22-12-11-17(15-23(22)36(33,34)28-13-4-1-5-14-28)26(32)35-19-8-6-7-18(16-19)29-24(30)20-9-2-3-10-21(20)25(29)31/h2-3,6-12,15-16H,1,4-5,13-14H2