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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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