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

Systemtic Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(2-bromophenyl)sulfonylpiperazino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H28BrN3O5S MolecularWeight: 538.45452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br)OC

InChI

InChI=1S/C23H28BrN3O5S/c1-31-20-13-17-7-8-26(15-18(17)14-21(20)32-2)23(28)16-25-9-11-27(12-10-25)33(29,30)22-6-4-3-5-19(22)24/h3-6,13-14H,7-12,15-16H2,1-2H3