2-butyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H29N3O5S/c1-4-5-10-28-24(30)21-9-7-19(16-22(21)25(28)31)23(29)26-11-13-27(14-12-26)34(32,33)20-8-6-17(2)18(3)15-20/h6-9,15-16H,4-5,10-14H2,1-3H3