1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

InChI

InChI=1S/C25H33N3O5S/c1-18-5-6-24(19(2)13-18)34(30,31)28-11-9-26(10-12-28)17-25(29)27-8-7-20-14-22(32-3)23(33-4)15-21(20)16-27/h5-6,13-15H,7-12,16-17H2,1-4H3