2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzylpiperazino)sulfonylphenyl]isoindoline-1,3-quinone Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H23N3O4S/c29-24-22-8-4-5-9-23(22)25(30)28(24)20-10-12-21(13-11-20)33(31,32)27-16-14-26(15-17-27)18-19-6-2-1-3-7-19/h1-13H,14-18H2