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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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