1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H24FN3O3S/c22-19-6-3-7-20(14-19)29(27,28)25-12-10-23(11-13-25)16-21(26)24-9-8-17-4-1-2-5-18(17)15-24/h1-7,14H,8-13,15-16H2