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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H23N3O4S/c1-18-6-8-19(9-7-18)26-14-16-27(17-15-26)33(31,32)21-12-10-20(11-13-21)28-24(29)22-4-2-3-5-23(22)25(28)30/h2-13H,14-17H2,1H3