1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

InChI

InChI=1S/C25H29N3O4S/c1-18-8-9-22(16-19(18)2)33(31,32)27-14-12-26(13-15-27)25(30)17-24-23-7-5-4-6-21(23)10-11-28(24)20(3)29/h4-11,16,24H,12-15,17H2,1-3H3