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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O6S/c1-18(29)28-11-10-19-6-4-5-7-21(19)22(28)17-25(30)26-12-14-27(15-13-26)35(31,32)20-8-9-23(33-2)24(16-20)34-3/h4-11,16,22H,12-15,17H2,1-3H3/t22-/m1/s1