1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]ethanone Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O6S/c1-18(29)28-9-8-19-4-2-3-5-21(19)22(28)17-25(30)26-10-12-27(13-11-26)35(31,32)20-6-7-23-24(16-20)34-15-14-33-23/h2-9,16,22H,10-15,17H2,1H3/t22-/m1/s1