2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-acetylphenyl)sulfonylpiperazino]ethanone Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H27N3O5S/c1-18(29)20-7-9-22(10-8-20)34(32,33)27-15-13-26(14-16-27)25(31)17-24-23-6-4-3-5-21(23)11-12-28(24)19(2)30/h3-12,24H,13-17H2,1-2H3