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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[4-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]phenyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide Traditional Name: 4-phthalimido-N-[4-(4-pyrazin-2-ylpiperazino)sulfonylphenyl]butyramide Formula: C26H26N6O5S MolecularWeight: 534.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H26N6O5S/c33-24(6-3-13-32-25(34)21-4-1-2-5-22(21)26(32)35)29-19-7-9-20(10-8-19)38(36,37)31-16-14-30(15-17-31)23-18-27-11-12-28-23/h1-2,4-5,7-12,18H,3,6,13-17H2,(H,29,33)