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

Systemtic Name: 4-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: 4-[4-[4-(1,3-dioxoisoindolin-2-yl)phenyl]sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[4-(1,3-dioxo-2-isoindolyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 4-[4-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-phthalimidophenyl)sulfonylpiperazine-1-carbonyl]benzoate Formula: C26H20N3O7S- MolecularWeight: 518.5179

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=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(CCN1C(=O)C2=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/C26H21N3O7S/c30-23(17-5-7-18(8-6-17)26(33)34)27-13-15-28(16-14-27)37(35,36)20-11-9-19(10-12-20)29-24(31)21-3-1-2-4-22(21)25(29)32/h1-12H,13-16H2,(H,33,34)/p-1