8-(2-fluorophenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline

Systemtic Name: 8-(2-fluorophenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline Openeye Name: 8-(2-fluorophenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline CAS Name: 8-(2-fluorophenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]quinoline IUPAC Name: 8-(2-fluorophenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline Traditional Name: 8-(2-fluorophenyl)-2-[4-(2-mesylbenzyl)piperazino]quinoline Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC=C5F)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC=C5F)C=C3

InChI

InChI=1S/C27H26FN3O2S/c1-34(32,33)25-12-5-2-7-21(25)19-30-15-17-31(18-16-30)26-14-13-20-8-6-10-23(27(20)29-26)22-9-3-4-11-24(22)28/h2-14H,15-19H2,1H3