N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)cinchoninamide Formula: C28H26FN3O3S MolecularWeight: 503.587743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O3S/c29-21-14-12-20(13-15-21)27-19-25(24-10-3-4-11-26(24)31-27)28(33)30-22-8-7-9-23(18-22)36(34,35)32-16-5-1-2-6-17-32/h3-4,7-15,18-19H,1-2,5-6,16-17H2,(H,30,33)