3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Traditional Name: 3-phthalimido-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]propionamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H26N6O5S/c29-19(7-11-28-20(30)17-5-1-2-6-18(17)21(28)31)23-10-4-16-34(32,33)27-14-12-26(13-15-27)22-24-8-3-9-25-22/h1-3,5-6,8-9H,4,7,10-16H2,(H,23,29)