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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H23ClFN3O3S MolecularWeight: 451.942023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O3S/c22-19-13-18(5-6-20(19)23)30(28,29)26-11-9-24(10-12-26)15-21(27)25-8-7-16-3-1-2-4-17(16)14-25/h1-6,13H,7-12,14-15H2