1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-mesylpiperazino)butane-1,4-dione Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C20H29N3O6S/c1-28-17-12-15-6-7-22(14-16(15)13-18(17)29-2)20(25)5-4-19(24)21-8-10-23(11-9-21)30(3,26)27/h12-13H,4-11,14H2,1-3H3