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

Systemtic Name: 4-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylpiperazin-1-yl]benzoate Openeye Name: 4-[4-[4-(1,3-dioxoisoindolin-2-yl)phenyl]sulfonylpiperazin-1-yl]benzoate CAS Name: 4-[4-[4-(1,3-dioxo-2-isoindolyl)phenyl]sulfonyl-1-piperazinyl]benzoate IUPAC Name: 4-[4-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylpiperazin-1-yl]benzoate Traditional Name: 4-[4-(4-phthalimidophenyl)sulfonylpiperazino]benzoate Formula: C25H20N3O6S- MolecularWeight: 490.5078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H21N3O6S/c29-23-21-3-1-2-4-22(21)24(30)28(23)19-9-11-20(12-10-19)35(33,34)27-15-13-26(14-16-27)18-7-5-17(6-8-18)25(31)32/h1-12H,13-16H2,(H,31,32)/p-1