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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide Traditional Name: 4-phthalimido-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]butyramide Formula: C23H28N6O5S MolecularWeight: 500.57062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O5S/c30-20(8-3-12-29-21(31)18-6-1-2-7-19(18)22(29)32)24-11-5-17-35(33,34)28-15-13-27(14-16-28)23-25-9-4-10-26-23/h1-2,4,6-7,9-10H,3,5,8,11-17H2,(H,24,30)