2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]isoindoline-1,3-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H23N3O4S/c1-15-7-8-17(13-16(15)2)29(27,28)23-11-9-22(10-12-23)14-24-20(25)18-5-3-4-6-19(18)21(24)26/h3-8,13H,9-12,14H2,1-2H3