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

Systemtic Name: 2-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-[(2-chlorophenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-chlorobenzyl)piperazino]sulfonylphenyl]isoindoline-1,3-quinone Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22ClN3O4S/c26-23-8-4-1-5-18(23)17-27-13-15-28(16-14-27)34(32,33)20-11-9-19(10-12-20)29-24(30)21-6-2-3-7-22(21)25(29)31/h1-12H,13-17H2