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

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C24H27N3O4S/c1-18-7-9-21(10-8-18)32(30,31)26-15-13-25(14-16-26)24(29)17-23-22-6-4-3-5-20(22)11-12-27(23)19(2)28/h3-12,23H,13-17H2,1-2H3/t23-/m1/s1