2-[4-[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1,3-diketo-2-p-phenetyl-isoindoline-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C28H24N4O6S MolecularWeight: 544.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C28H24N4O6S/c1-2-38-22-10-8-21(9-11-22)32-27(34)23-12-7-19(17-24(23)28(32)35)26(33)30-13-15-31(16-14-30)39(36,37)25-6-4-3-5-20(25)18-29/h3-12,17H,2,13-16H2,1H3