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

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (3-phthalimidophenyl) ester Formula: C25H19ClN2O7S MolecularWeight: 526.94556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C25H19ClN2O7S/c26-21-9-8-16(14-22(21)36(32,33)27-10-12-34-13-11-27)25(31)35-18-5-3-4-17(15-18)28-23(29)19-6-1-2-7-20(19)24(28)30/h1-9,14-15H,10-13H2