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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-fluorophenyl)cinchoninamide Formula: C29H28FN3O3S MolecularWeight: 517.614323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C29H28FN3O3S/c1-20-10-15-23(18-28(20)37(35,36)33-16-6-2-3-7-17-33)31-29(34)25-19-27(21-11-13-22(30)14-12-21)32-26-9-5-4-8-24(25)26/h4-5,8-15,18-19H,2-3,6-7,16-17H2,1H3,(H,31,34)