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

Systemtic Name: 2-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]butyl]isoindoline-1,3-quinone Formula: C24H29N3O4S MolecularWeight: 455.56976

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-18-9-10-22(19(2)17-18)32(30,31)26-15-13-25(14-16-26)11-5-6-12-27-23(28)20-7-3-4-8-21(20)24(27)29/h3-4,7-10,17H,5-6,11-16H2,1-2H3