2-[[4-ethoxy-3-(4-methylsulfonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-ethoxy-3-(4-methylsulfonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-(4-mesylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H25N3O6S/c1-3-32-20-9-8-16(15-26-22(28)17-6-4-5-7-18(17)23(26)29)14-19(20)21(27)24-10-12-25(13-11-24)33(2,30)31/h4-9,14H,3,10-13,15H2,1-2H3