4-(azepan-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-6-fluoro-3-(p-tolylsulfonyl)quinoline CAS Name: 4-(1-azepanyl)-6-fluoro-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-6-fluoro-3-tosyl-quinoline Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCCCCC4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCCCCC4)F

InChI

InChI=1S/C22H23FN2O2S/c1-16-6-9-18(10-7-16)28(26,27)21-15-24-20-11-8-17(23)14-19(20)22(21)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3