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

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

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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)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)C

InChI

InChI=1S/C25H29N3O4S/c1-18-8-9-24(19(2)16-18)33(31,32)27-14-12-26(13-15-27)25(30)17-23-22-7-5-4-6-21(22)10-11-28(23)20(3)29/h4-11,16,23H,12-15,17H2,1-3H3/t23-/m1/s1