8-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoranyl-quinoline

Systemtic Name: 8-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoranyl-quinoline Openeye Name: 8-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoro-quinoline CAS Name: 8-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-6-fluoroquinoline IUPAC Name: 8-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline Traditional Name: 8-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-6-fluoro-quinoline Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)C

InChI

InChI=1S/C22H24FN3O2S/c1-16-5-6-21(12-17(16)2)29(27,28)26-10-8-25(9-11-26)15-19-14-20(23)13-18-4-3-7-24-22(18)19/h3-7,12-14H,8-11,15H2,1-2H3