2-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(p-tolylsulfonyl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-tosylpiperazino)butyl]isoindoline-1,3-quinone Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O4S/c1-18-8-10-19(11-9-18)31(29,30)25-16-14-24(15-17-25)12-4-5-13-26-22(27)20-6-2-3-7-21(20)23(26)28/h2-3,6-11H,4-5,12-17H2,1H3