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

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-(4-p-cumenylsulfonylpiperazino)ethanone Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4S/c1-19(2)21-8-10-23(11-9-21)34(32,33)28-16-14-27(15-17-28)26(31)18-25-24-7-5-4-6-22(24)12-13-29(25)20(3)30/h4-13,19,25H,14-18H2,1-3H3/t25-/m1/s1