2-[4-methylsulfonyl-1-oxidanylidene-1-(4-phenethylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-methylsulfonyl-1-oxidanylidene-1-(4-phenethylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-methylsulfonyl-1-(4-phenethylpiperazine-1-carbonyl)propyl]isoindoline-1,3-dione CAS Name: 2-[4-methylsulfonyl-1-oxo-1-(4-phenethyl-1-piperazinyl)butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-methylsulfonyl-1-oxo-1-(4-phenethylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-mesyl-1-(4-phenethylpiperazine-1-carbonyl)propyl]isoindoline-1,3-quinone Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O5S/c1-34(32,33)18-12-22(28-23(29)20-9-5-6-10-21(20)24(28)30)25(31)27-16-14-26(15-17-27)13-11-19-7-3-2-4-8-19/h2-10,22H,11-18H2,1H3